Results for:
chemical Classification: terpenes

4-ethenyl-1,4-dimethyl-3-(2-methylprop-1-enyl)cycloheptene

Compound Details

Synonymous names

1-Cycloheptene, 1,4-dimethyl-3-(2-methyl-1-propene-1-yl)-4-vinyl-

LNTPAQBSMWDVRZ-UHFFFAOYSA-N

1,4-Dimethyl-3-(2-methyl-1-propenyl)-4-vinyl-1-cycloheptene #

Microorganism:

Yes

IUPAC name

4-ethenyl-1,4-dimethyl-3-(2-methylprop-1-enyl)cycloheptene

SMILES

CC1=CC(C(CCC1)(C)C=C)C=C(C)C

Inchi

InChI=1S/C15H24/c1-6-15(5)9-7-8-13(4)11-14(15)10-12(2)3/h6,10-11,14H,1,7-9H2,2-5H3

Formula

C₁₅H₂₄

PubChem ID

572162

Molweight

204.35

LogP

5.3

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

terpenes unsaturated hydrocarbons

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Streptomyces Griseus		NA	Riu et al. 2022

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Streptomyces Griseus	TSA media	SPME/GC-MS	no

1,2,5,5,8a-pentamethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene

Compound Details

Synonymous names

1,1,4a,5,6-Pentamethyldecahydronaphthalene

5951-58-6

1,2,5,5,8a-pentamethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene

Decahydro-1,1,4a,5,6-pentamethylnaphthalene

B6L7EVH458

1,1,4a,5,6-pentamethyldecalin

starbld0004379

UNII-B6L7EVH458

80655-44-3

Naphthalene, decahydro-1,2,5,5,8a-pentamethyl-, stereoisomer

DTXSID70974921

CVRSZZJUWRLRDE-UHFFFAOYSA-N

DB-238101

Decahydro-1,2,5,5,8a-pentamethylnaphthalene stereoisomer

Microorganism:

Yes

IUPAC name

1,2,5,5,8a-pentamethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene

SMILES

CC1CCC2C(CCCC2(C1C)C)(C)C

Inchi

InChI=1S/C15H28/c1-11-7-8-13-14(3,4)9-6-10-15(13,5)12(11)2/h11-13H,6-10H2,1-5H3

Formula

C₁₅H₂₈

PubChem ID

606283

Molweight

208.38

LogP

6.2

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

terpenes saturated hydrocarbons

Supernatural-ID

SN0056851

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Streptomyces Thermocarboxydus	NA	NA	Passari et al. 2019

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Streptomyces Thermocarboxydus	actinomycetes isolation agar (AIA)	GC-MS	no

Phosphono [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] Hydrogen Phosphate

Compound Details

Synonymous names

farnesyl diphosphate

farnesyl pyrophosphate

(2E,6E)-Farnesyl diphosphate

(all-E)-Farnesyl diphosphate

Farnesylpyrophosphate

all-trans-Farnesyl pyrophosphate

(2E,6E)-Farnesyl pyrophosphate

(E,E)-Farnesyl pyrophosphate

13058-04-3

372-97-4

trans,trans-Farnesyl diphosphate

trans-Farnesyl pyrophosphate

2-trans,6-trans-farnesyl diphosphate

2-trans,6-trans-Farnesyl pyrophosphate

(E,E)-Farnesyl diphosphate

Farnesol pyrophosphate

farnesyl-PP

(2E,6E)-farnesol diphosphate

trans-trans-farnesyl diphosphate

CHEBI:17407

trans,trans-Farnesyl pyrophosphate

Sq 32709

CHEMBL69330

(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate

phosphono [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphate

79W6B01D07

FPP

2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, trihydrogen pyrophosphate, (E,E)-

Diphosphoric acid, P-(3,7,11-trimethyl-2,6,10-dodecatrien-1-yl) ester

Diphosphoric acid, mono(3,7,11-trimethyl-2,6,10-dodecatrienyl) ester, (E,E)-

Farnesyldiphosphat

UNII-79W6B01D07

Farnesyl trihydrogen pyrophosphate

Diphosphoric acid, mono((2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienyl) ester

Diphosphoric acid, mono[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienyl] ester

Diphosphoric acid,P-(3,7,11-trimethyl-2,6,10-dodecatrienyl) ester

Epitope ID:153909

G8X8WT527W

GTPL3050

Diphosphoric acid, mono[(2Z,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl] ester

trans-trans-Farnesyl pyrophosphate

DTXSID701020624

Farnesyl diphosphate, (2E,6E)-

BDBM50366477

Diphosphoric acid, mono(3,7,11-trimethyl-2,6,10-dodecatrienyl) ester

DB07780

LMPR0103010002

trans,trans-Farnesyl diphosphate (FPP)

(2-trans,6-trans)-Farnesyl diphosphate

Diphosphoric acid, P-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl] ester

HY-113037

CS-0059409

NS00015199

C00448

Q2699676

BRD-A57226833-001-01-1

2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, trihydrogen pyrophosphate

Diphosphoric acid, P-(3,7,11-trimethyl-2,6,10-dodecatrienyl) ester

2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-(farnesol), trihydrogen pyrophosphate, trans,trans-

Microorganism:

Yes

IUPAC name

phosphono [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphate

SMILES

CC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C

Inchi

InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+,15-11+

Formula

C₁₅H₂₈O₇P₂

PubChem ID

445713

Molweight

382.33

LogP

2.6

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

terpenes phosphorus compounds

CHEBI-ID

17407

Supernatural-ID

SN0401771-02

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Streptomyces Coelicolor	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Myxococcus Xanthus	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Stigmatella Aurantiaca	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Streptomyces Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Myxobacterium Sp.	n/a	NA	Nawrath et al. 2008

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Streptomyces Coelicolor	n/a	n/a	no
Prokaryota	Myxococcus Xanthus	n/a	n/a	no
Prokaryota	Stigmatella Aurantiaca	n/a	n/a	no
Prokaryota	Streptomyces Sp.	n/a	n/a	no
Prokaryota	Myxobacterium Sp.	n/a	n/a	no

1-methyl-4-propan-2-yl-2,3-dioxabicyclo[2.2.2]oct-5-ene

Compound Details

Synonymous names

ASCARIDOLE

Ascaridol

512-85-6

1,4-Peroxido-p-menthene-2

Ascaridiol

1,4-Peroxy-p-menth-2-ene

1,4-Epidioxy-p-menth-2-ene

Ascaricum

Ascarisin

Askaridol

cis-Ascaridole

NSC 406266

CHEBI:2866

2,3-Dioxabicyclo[2.2.2]oct-5-ene, 1-methyl-4-(1-methylethyl)-

1-Methyl-4-(1-methylethyl)-2,3-dioxabicyclo(2.2.2)oct-5-ene

2,3-Dioxabicyclo(2.2.2)oct-5-ene, 1-isopropyl-4-methyl-

2,3-Dioxabicyclo(2.2.2)oct-5-ene, 1-methyl-4-(1-methylethyl)-

1,4-Epidioxy-2-p-menthene

NSC-406266

NSC-406924

p-Menth-2-ene, 1,4-epidioxy-

1-methyl-4-(1-methylethyl)-2,3-dioxabicyclo[2.2.2]oct-5-ene

EINECS 208-147-4

UNII-1718D0GEVJ

2, 1-isopropyl-4-methyl-

p-Menth-2-ene,4-epidioxy-

AI3-11049

1-Isopropyl-4-methyl-2,3-Dioxabicyclo(2.2.2)oct-5-ene

1-Isopropyl-4-methyl-2,3-dioxabicyclo[2.2.2]oct-5-ene

4-methyl-1-(propan-2-yl)-2,3-dioxabicyclo[2.2.2]oct-5-ene

2, 1-methyl-4-(1-methylethyl)-

WLN: T66 A B AO BO DUTJ CY F

1-methyl-4-propan-2-yl-2,3-dioxabicyclo[2.2.2]oct-5-ene

Ascaridole (organic peroxide) [Forbidden]

Uncinacina

Ascapurin

4-methyl-1-(propan-2-yl)-2,3-dioxabicyclo(2.2.2)oct-5-ene

1-methyl-4-(propan-2-yl)-2,3-dioxabicyclo[2.2.2]oct-5-ene

Kebal II

SCHEMBL156673

Discontiuned Unable to ship""

1, 4-Peroxy-p-menth-2-ene

CHEMBL467614

1, 4-Epidioxy-p-menth-2-ene

NSC406266

NSC406924

AKOS004910035

TS-08412

HY-118494

CS-0066135

NS00010548

C09836

Q419442

1-isopropyl-4-methyl-7-oxabicyclo[2.2.1]hept-2-ene

1-Isopropyl-4-methyl-2,3-dioxabicyclo[2.2.2]oct-5-ene #

1-Methyl-4-(1-methylethyl)-2,3-dioxabicyclo[2.2.2]oct-5-ene, 9CI

Microorganism:

IUPAC name

1-methyl-4-propan-2-yl-2,3-dioxabicyclo[2.2.2]oct-5-ene

SMILES

CC(C)C12CCC(C=C1)(OO2)C

Inchi

InChI=1S/C10H16O2/c1-8(2)10-6-4-9(3,5-7-10)11-12-10/h4,6,8H,5,7H2,1-3H3

Formula

C₁₀H₁₆O₂

PubChem ID

10545

Molweight

168.23

LogP

2.3

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

terpenes peroxides

CHEBI-ID

2866

Supernatural-ID

SN0225388

mVOC Specific Details

Boiling Point

Degree	Reference
112 median

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Fusarium Oxysporum		NA	Moisan et al. 2021

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Fusarium Oxysporum	1/5th PDA medium	GC-MS	no

6-[(Z)-but-2-en-2-yl]-3-methylpyran-2-one

Compound Details

Synonymous names

Fusalanipyrone

Fuselanopyrone

OTE9EB16UU

UNII-OTE9EB16UU

118169-29-2

2H-Pyran-2-one, 3-methyl-6-((1Z)-1-methyl-1-propenyl)-

3-Methyl-6-((1Z)-1-methyl-1-propen-1-yl)-2H-pyran-2-one

Q27896609

Microorganism:

IUPAC name

6-[(Z)-but-2-en-2-yl]-3-methylpyran-2-one

SMILES

CC=C(C)C1=CC=C(C(=O)O1)C

Inchi

InChI=1S/C10H12O2/c1-4-7(2)9-6-5-8(3)10(11)12-9/h4-6H,1-3H3/b7-4-

Formula

C₁₀H₁₂O₂

PubChem ID

11217427

Molweight

164.2

LogP

2.8

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

terpenes heterocyclic compounds lactones

Supernatural-ID

SN0083287-01

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Fusarium Solani		NA	Abraham and Arfmann 1988

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Fusarium Solani			no

(1R,2S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.01,5]undec-5-en-4-one

Compound Details

Synonymous names

albaflavenone

(+)-epi-isozizaen-5-one

(1R,2S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.0(1,5)]undec-5-en-4-one

(3S,3aR,6S)-3,7,7,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-3a,6-methanoazulen-1-one

CHEBI:51460

LMPR0103700006

C17954

Q27122616

(1R,2S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.01,5]undec-5-en-4-one

Microorganism:

Yes

IUPAC name

(1R,2S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.01,5]undec-5-en-4-one

SMILES

CC1CC(=O)C2=C(C(C3CCC12C3)(C)C)C

Inchi

InChI=1S/C15H22O/c1-9-7-12(16)13-10(2)14(3,4)11-5-6-15(9,13)8-11/h9,11H,5-8H2,1-4H3/t9-,11-,15+/m0/s1

Formula

C₁₅H₂₂O

PubChem ID

25137938

Molweight

218.33

LogP

3.6

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

terpenes ketones

CHEBI-ID

51460

Supernatural-ID

SN0345925-01

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Streptomyces Albidoflavus	n/a	NA	Schulz and Dickschat 2007

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Streptomyces Albidoflavus	n/a	n/a	no

(4aR,8R,8aS)-4a,8-dimethyl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one

Compound Details

Synonymous names

(1RS,6SR,10SR)-6,10-dimethylbicyclo[4.4.0]decan-3-one

CHEBI:200698

(1s,6r,10r)-6,10-dimethylbicyclo[4.4.0]decan-3-one

(4aR,8R,8aS)-4a,8-dimethyl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one

Microorganism:

Yes

IUPAC name

(4aR,8R,8aS)-4a,8-dimethyl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one

SMILES

CC1CCCC2(C1CC(=O)CC2)C

Inchi

InChI=1S/C12H20O/c1-9-4-3-6-12(2)7-5-10(13)8-11(9)12/h9,11H,3-8H2,1-2H3/t9-,11+,12-/m1/s1

Formula

C₁₂H₂₀O

PubChem ID

14298889

Molweight

180.29

LogP

3.1

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

terpenes ketones

CHEBI-ID

200698

Supernatural-ID

SN0434353-01

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Chondromyces Crocatus	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Chondromyces Crocatus	n/a	NA	Schulz et al. 2004

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Chondromyces Crocatus	n/a	n/a	no

(2R,5R)-2-methyl-5-propan-2-ylcyclohexan-1-one

Compound Details

Synonymous names

Tetrahydrocarvone

(R,R)-Tetrahydrocarvone

Carvomenthone, (+-)-

(+)-carvomenthone

(+-)-Carvomenthone

(+-)-Tetrahydrocarvone

N2VIB4RXFK

UNII-N2VIB4RXFK

(+-)-(R,R)-Tetrahydrocarvone

trans-p-Menthan-2-one

p-Menthan-2-one, trans-

D5PYY1B83Q

(1R,4R)-p-Menthan-2-one, (+-)-

p-Menthan-2-one, (1R,4R)-(+-)-

Cyclohexanone, 2-methyl-5-(1-methylethyl)-, (2R,5R)-

5206-83-7

Cyclohexanone, 2-methyl-5-(1-methylethyl)-, (2R-trans)-

p-Menthan-2-one

Cyclohexanone, 2-methyl-5-(1-methylethyl)-, trans-

5-Isopropyl-2-methylcyclohexanone, trans-

5-Isopropyl-2-methyl-cyclohexanone

(2R,5R)-2-methyl-5-propan-2-ylcyclohexan-1-one

trans-5-Isopropyl-2-methylcyclohexanone

(E)-para-menthan-2-one

FEMA No. 3176

trans-5-Isopropyl-2-methylcyclohexan-1-one

trans-Cyclohexanone, 2-methyl-5-(1-methylethyl)-

UNII-D5PYY1B83Q

(+)-TETRAHYDROCARVONE

CARVOMENTHONE, (+)-

SCHEMBL20608621

DTXSID70200035

P-MENTHAN-2-ONE [FHFI]

(+/-)-P-MENTHAN-2-ONE

EINECS 207-887-5

(+)-(R,R)-TETRAHYDROCARVONE

NS00080177

(1R,4R)-P-MENTHAN-2-ONE, (+)-

P-MENTHAN-2-ONE, (1R,4R)-(+)-

(2R,5R)-5-Isopropyl-2-methylcyclohexan-1-one

2-Methyl-5-(1-methylethyl)cyclohexanone, trans-

CYCLOHEXANONE, 2-METHYL-5-(1-METHYLETHYL)-, (2R,5R)-REL-

Microorganism:

Yes

IUPAC name

(2R,5R)-2-methyl-5-propan-2-ylcyclohexan-1-one

SMILES

CC1CCC(CC1=O)C(C)C

Inchi

InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h7-9H,4-6H2,1-3H3/t8-,9-/m1/s1

Formula

C₁₀H₁₈O

PubChem ID

10997258

Molweight

154.25

LogP

2.7

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

terpenes ketones

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Trichoderma Hamatum		NA	Guo et al. 2019
Eukaryota	Trichoderma Harzianum		NA	Guo et al. 2019
Eukaryota	Trichoderma Virens		NA	Guo et al. 2019
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Harris et al. 2021

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Trichoderma Hamatum	Melin-Norkrans synthetic medium	SBSE-GC-MS	no
Eukaryota	Trichoderma Harzianum	Melin-Norkrans synthetic medium	SBSE-GC-MS	no
Eukaryota	Trichoderma Virens	Melin-Norkrans synthetic medium	SBSE-GC-MS	no
Eukaryota	Saccharomyces Cerevisiae	malt extract broth	HS-SPME with GC-MS	no

(4aS,8S)-4a,8-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one

Compound Details

Synonymous names

KLTKQWRPJDRMTL-CABZTGNLSA-N

11,12,13-tris-nor-trans-Eudesm-5-en-7-one

trans-6,10-dimethyl-bicyclo[4.4.0]dec-1-en-3-one

(6s,10s)-6,10-dimethylbicyclo[4.4.0]dec-1-en-3-one

Microorganism:

Yes

IUPAC name

(4aS,8S)-4a,8-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one

SMILES

CC1CCCC2(C1=CC(=O)CC2)C

Inchi

InChI=1S/C12H18O/c1-9-4-3-6-12(2)7-5-10(13)8-11(9)12/h8-9H,3-7H2,1-2H3/t9-,12-/m0/s1

Formula

C₁₂H₁₈O

PubChem ID

6428338

Molweight

178.27

LogP

2.8

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

terpenes ketones

Supernatural-ID

SN0189086-02

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Chondromyces Crocatus	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Chondromyces Crocatus	n/a	NA	Schulz et al. 2004
Prokaryota	Nannocystis Exedens	n/a	NA	Dickschat et al. 2007

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Chondromyces Crocatus	n/a	n/a	no
Prokaryota	Nannocystis Exedens	n/a	n/a	no

(E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one

Compound Details

Synonymous names

Ionone, methyl-

Methyl ionone

6-Methylionone

1335-46-2

1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-1-penten-3-one

alpha-methyl ionone

7779-30-8

alpha-Cetone

(E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one

1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one

1322-70-9

alpha-Methylionone

1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)pent-1-en-3-one

Methyl-alpha-ionone

1-PENTEN-3-ONE, 1-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-

5-(2,6,6-Trimethyl-2-cyclohexenyl)-4-penten-3-one

FEMA No. 2711

(e)-1-(2,6,6-trimethylcyclohex-2-enyl)pent-1-en-3-one

1-(2,6,6-Trimethyl-2-cyclohexene-1-yl)-1-penten-3-one

(1E)-1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-1-penten-3-one

Cetone, alpha-

Methylionone, alpha-

127-42-4

A-METHYLIONONE

1-Penten-3-one, 1-((1R)-2,6,6-trimethyl-2-cyclohexen-1-yl)-, (1E)-

EINECS 204-842-1

EINECS 215-635-0

EINECS 231-926-5

DTXSID6026240

NSC 163996

Methyl-Ionone

Methyl ionone 3

N-Methyl-a-ionone

1-Methyl-a-ionone

.alpha.-N-Methyl ionone

DSSTox_CID_6240

EC 215-635-0

DSSTox_RID_78712

DSSTox_GSID_29214

DTXCID206240

CHEMBL1371285

FEMA 2711

VPKMGDRERYMTJX-CMDGGOBGSA-

CHEBI:172145

DTXSID501197970

Tox21_201192

Tox21_301465

(R-(E))-1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)pent-1-en-3-one

1-Penten-3-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)- (VAN)

NSC163996

1-Penten-3-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (theta-(E))-

HY-W355140

NSC-163996

1-2,6,6-Trimethylcyclohex-2-en-1-yl

NCGC00091848-01

NCGC00091848-02

NCGC00091848-03

NCGC00255231-01

NCGC00258744-01

CAS-1335-46-2

CAS-7779-30-8

CS-0466424

NS00006735

Q3920656

W-108297

W-110238

1-2,6,6-Trimethylcyclohex-2-en-1-yl;pent-1-en-3-one

1-(2,6,6-Trimethylcyclohex-2-en-1-yl)-1-pentene-3-one

1-Penten-3-one,6,6-trimethyl-2-cyclohexen-1-yl)- (VA

4-Penten-3-one,5-(2,6,6-trimethyl-2-cyclohexen-1-yl)

(1E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one

Methylionone (mixture of |A- and |A-, predominantly |A-n-isomer)

InChI=1/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h7-9,13H,5-6,10H2,1-4H3/b9-8+

Microorganism:

Yes

IUPAC name

(E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one

SMILES

CCC(=O)C=CC1C(=CCCC1(C)C)C

Inchi

InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h7-9,13H,5-6,10H2,1-4H3/b9-8+

Formula

C₁₄H₂₂O

PubChem ID

5371084

Molweight

206.32

LogP

3.4

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

terpenes ketones

CHEBI-ID

172145

Supernatural-ID

SN0396564-01

mVOC Specific Details

Boiling Point

Degree	Reference
238 median

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Aspergillus Niger	NA	NA	Costa et al. 2016
Eukaryota	Candida Albicans	NA	NA	Costa et al. 2016
Eukaryota	Penicillium Chrysogenum	NA	NA	Costa et al. 2016
Eukaryota	Candida Albicans		ATCC MYA-2876, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Glabrata		ATCC 90030, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Tropicalis		ATCC 750, American Type Culture Collection	Costa et al. 2020
Prokaryota	Algihabitans Albus		isolate from the algal Chromera velia CCAP 1602/1	Koteska et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Aspergillus Niger	Yeast Glucose Chloramphenicol	SPME/GCxGC-MS	no
Eukaryota	Candida Albicans	Yeast Glucose Chloramphenicol	SPME/GCxGC-MS	no
Eukaryota	Penicillium Chrysogenum	Yeast Glucose Chloramphenicol	SPME/GCxGC-MS	no
Eukaryota	Candida Albicans	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Candida Glabrata	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Candida Tropicalis	YGC media	HS-SPME/GC-GC-ToFMS	no
Prokaryota	Algihabitans Albus	marine broth agar	OSSA/GC-MS	no

(E)-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one

Compound Details

Synonymous names

Damascenone

beta-Damascenone

23696-85-7

23726-93-4

trans-beta-Damascenone

2-BUTEN-1-ONE, 1-(2,6,6-TRIMETHYL-1,3-CYCLOHEXADIEN-1-YL)-

trans-damascenone

.beta.-Damascenone

1-(2,6,6-Trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one

(E)-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one

FEMA No. 3420

(E)-.beta.-Damascenone

(E)-1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one

U66V25TBO0

(2E)-1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one

4-(2,6,6-Trimethylcyclohexa-1,3-dienyl)but-2-en-4-one

1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one

2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (2E)-

2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (E)-

2,6,6-Trimethyl-1-trans-crotonoyl-1,3-cyclohexadiene

1-[2,6,6-Trimethyl-1,3-cyclohexadien-1-yl]-2E-buten-1-one

(2E)-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one

Damascenone (natural)

DTXSID6041397

UNII-U66V25TBO0

EINECS 245-833-2

EINECS 245-844-2

Damascenone, trans-

damascenone (e-beta)

beta-(E)-damascenone

?-Damascenone, 90%

trans-.beta.-Damascenone

.beta.-(E)-Damascenone

DAMASCENONE,.BETA.-

SCHEMBL80947

DISCONTINUED, UNSTABLE"

Damascenone, analytical standard

TRANS-.BETA.-DAMASCENON

CHEMBL3733030

CHEBI:67251

.BETA.-DAMASCENONE [MI]

DTXCID80196511

DTXSID90885242

.BETA.-DAMASCENON, TRANS-

1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one; 1-(2,6,6-Trimethyl-1,3-cyclohexadienyl)-2-buten-1-one; 1-Crotonoyl-2,6,6-trimethyl-1,3-cyclohexadiene;

HY-N2543

Tox21_304001

2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (E)

LMPR01070304

MFCD00101024

s6431

2-Buten-1-one,1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (2E)-

AKOS015914961

NCGC00357220-01

AC-34815

BS-16271

CAS-23696-85-7

CS-0022815

NS00013181

1-crotonoyl-2,6,6-trimethylcyclohexa-1,3-diene

2,6,6-trimethyl-1-crotonoyl-1,3-cyclohexadiene

A816852

Q416126

Damascenone, certified reference material, TraceCERT(R)

4-(2,6,6-Trimethyl cyclohexa-1,3-dienyl)but-2-en-4-one

(E)-1-(2,6,6-trimethylcyclohexa-1,3-dienyl)but-2-en-1-one

(e)-1-(2,6,6-trimethyl-1-cyclohexa-1,3-dienyl)but-2-en-1-one

Damascenone, natural, 1.1-1.3 wt. % (190 proof ethanol), FG

(2 E)-1-(2,6,6-trimethylcyclohexane-1,3-dien-1-yl)but-2-en-1-one

1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one, trans-

4-(2,6,6-TRIMETHYL CYCLOHEXA-1,3-DIENYL) BUT-2-EN-4-ONE [FHFI]

Microorganism:

Yes

IUPAC name

(E)-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one

SMILES

CC=CC(=O)C1=C(C=CCC1(C)C)C

Inchi

InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+

Formula

C₁₃H₁₈O

PubChem ID

5366074

Molweight

190.28

LogP

3.2

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

terpenes ketones

CHEBI-ID

67251

Supernatural-ID

SN0290848-01

mVOC Specific Details

Boiling Point

Degree	Reference
274 median

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Lentilactobacillus Buchneri	NA	NA	Squara et al. 2022
Prokaryota	Lacticaseibacillus Paracasei	NA	NA	Squara et al. 2022
	Pediococcus Acidilactici			Mockus et al. 2024

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Lentilactobacillus Buchneri	maize silage	HS-SPME coupled with GC-TOF MS	no
Prokaryota	Lacticaseibacillus Paracasei	maize silage	HS-SPME coupled with GC-TOF MS	no
	Pediococcus Acidilactici	lentils (Lens culinaris)	SPME/ICP-MS	no

2,4,4-trimethyl-3-[(E)-3-oxobut-1-enyl]cyclohex-2-en-1-one

Compound Details

Synonymous names

4-Oxo-beta-ionone

29790-29-2

4-Oxo-b-ionone

(E)-2,4,4-Trimethyl-3-(3-oxo-1-butenyl)cyclohex-2-en-1-one

2,4,4-Trimethyl-3-(3-oxo-1-butenyl)cyclohex-2-en-1-one

27185-77-9

2,4,4-trimethyl-3-[(E)-3-oxobut-1-enyl]cyclohex-2-en-1-one

EINECS 248-307-0

3-Oxo-b-ionone

EINECS 249-851-1

3-Oxo-.beta.-ionone

3-Keto-.beta.-ionone

(E)-3-oxo-beta-ionone

SCHEMBL8390312

CHEBI:211741

2-Cyclohexen-1-one, 2,4,4-trimethyl-3-(3-oxo-1-butenyl)-

DTXSID701017762

NS00085207

Q67879619

2,4,4-Trimethyl-3-(3-oxo-1-butenyl)-2-cyclohexen-1-one

(E)-2,4,4-Trimethyl-3-(3-oxobut-1-en-1-yl)cyclohex-2-en-1-one

2,4,4-Trimethyl-3-[(1E)-3-oxo-1-butenyl]-2-cyclohexen-1-one

2,4,4-trimethyl-3-[(E)-3-oxo-but-1-enyl]-cyclohex-2-en-1-one

2-Cyclohexen-1-one, 2,4,4-trimethyl-3-(3-oxo-1-buten-1-yl)-

Microorganism:

Yes

IUPAC name

2,4,4-trimethyl-3-[(E)-3-oxobut-1-enyl]cyclohex-2-en-1-one

SMILES

CC1=C(C(CCC1=O)(C)C)C=CC(=O)C

Inchi

InChI=1S/C13H18O2/c1-9(14)5-6-11-10(2)12(15)7-8-13(11,3)4/h5-6H,7-8H2,1-4H3/b6-5+

Formula

C₁₃H₁₈O₂

PubChem ID

5363876

Molweight

206.28

LogP

1.8

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

terpenes ketones

CHEBI-ID

211741

Supernatural-ID

SN0260768-01

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Plectonema Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Phormidium Sp.	n/a	NA	Schulz and Dickschat 2007

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Plectonema Sp.	n/a	n/a	no
Prokaryota	Phormidium Sp.	n/a	n/a	no

(3E,5E)-6,10-dimethylundeca-3,5,9-trien-2-one

Compound Details

Synonymous names

Pseudoionone

141-10-6

(3E,5E)-6,10-dimethylundeca-3,5,9-trien-2-one

Citrylideneacetone

Pseudoionones

6,10-Dimethyl-3,5,9-undecatrien-2-one

6,10-Dimethylundeca-3,5,9-trien-2-one

3,5,9-Undecatrien-2-one, 6,10-dimethyl-

3548-78-5

trans-.psi.-Ionone

2,6-Dimethylundeca-2,6,8-triene-10-one

6,10-Dimethyl-3,5,9-undecatriene-2-one

.psi.-Ionone

Pseudoionone, (3E,5E)-

(E,E)-Pseudoionone

3E,5E-Pseudoionone

trans,trans-Pseudoionone

3,5,9-Undecatrien-2-one, 6,10-dimethyl-, (E,E)-

Z6K5D761AV

3,5,9-Undecatrien-2-one, 6,10-dimethyl-, (3E,5E)-

8-[N-Aziridylethylamino]-2,6-dimethyloctene-2

3,5,9-Undecatrien-2-one, 6,10-dimethyl, #2

3,5,9-Undecatrien-2-one, 6,10-dimethyl, #3

N-[2-(1-Aziridinyl)ethyl]-3,7-dimethyl-6-octen-1-amine

psi-Ionone

EINECS 205-457-1

UNII-H1KUL01Y8O

UNII-Z6K5D761AV

pseudo-ionone

AI3-22131

Pseudo Ionone

laquo Psiraquo -ionone

(3E,5E)-pseudoionone

6,10-Dimethyl-3,5 9-undecatrien-2-one

(3E,5E)-6,10-dimethyl-2-undeca-3,5,9-trienone

EC 205-457-1

H1KUL01Y8O

3,5,9-Undecatrien-2-one

SCHEMBL372459

(3E,5E)-6,10-Dimethyl-3,5,9-undecatrien-2-one

(ALL-E)-.PSI.-IONONE

CHEMBL4469540

Pseudoionone, mixture of isomers

SCHEMBL13978776

CHEBI:67207

DTXSID00891713

BBL027812

STK523246

AKOS005454377

MCULE-1061888927

VS-08595

2,6-Dimethyl hendeca-2,6,8-trien-10-one

CS-0320948

FEMA NO. 4299, (3E,5E)-

NS00007490

3,5,9-Undecatrien-2-one, 6,10-dimethyl, #1

6,10-Dimethyl-(E,E)-3,5,9-Undecatrien-2-one

A807727

W-109076

(3E,5E)-6,10-dimethyl-undeca-3,5,9-trien-2-one

Q27135688

(3E,5E)-6,10-Dimethyl-3,5,9-undecatrien-2-one #

DXJ

Microorganism:

Yes

IUPAC name

(3E,5E)-6,10-dimethylundeca-3,5,9-trien-2-one

SMILES

CC(=CCCC(=CC=CC(=O)C)C)C

Inchi

InChI=1S/C13H20O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h6-7,9-10H,5,8H2,1-4H3/b10-6+,12-9+

Formula

C₁₃H₂₀O

PubChem ID

1757003

Molweight

192.3

LogP

3.9

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

terpenes ketones

CHEBI-ID

67207

Supernatural-ID

SN0177860-01

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Coraliitalea Coralii		isolate from the algal Chromera velia CCAP 1602/1	Koteska et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Coraliitalea Coralii	marine broth agar	OSSA/GC-MS	no

(3E,5Z)-6,10-dimethylundeca-3,5,9-trien-2-one

Compound Details

Synonymous names

3-trans-5-cis-Pseudoionone

cis-psi-Ionone

Pseudoionone, (3E,5Z)-

UNII-9BXY7HLV2L

9BXY7HLV2L

13927-47-4

3,5,9-Undecatrien-2-one, 6,10-dimethyl-, (E,Z)-

cis-.psi.-Ionone

FEMA No. 4299, (3E,5Z)-

3,5,9-Undecatrien-2-one, 6,10-dimethyl-, (3E,5Z)-

(3E,5Z)-6,10-dimethylundeca-3,5,9-trien-2-one

(3E,5Z)-6,10-Dimethyl-3,5,9-undecatrien-2-one

(E,Z)-Pseudoionone

(3E,5Z)-pseudoionone

SCHEMBL15820994

DTXSID60859273

JXJIQCXXJGRKRJ-CQJQESKGSA-N

Q27272331

(3E,5Z)-6,10-Dimethyl-3,5,9-undecatrien-2-one #

Microorganism:

Yes

IUPAC name

(3E,5Z)-6,10-dimethylundeca-3,5,9-trien-2-one

SMILES

CC(=CCCC(=CC=CC(=O)C)C)C

Inchi

InChI=1S/C13H20O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h6-7,9-10H,5,8H2,1-4H3/b10-6+,12-9-

Formula

C₁₃H₂₀O

PubChem ID

1757002

Molweight

192.3

LogP

3.9

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

terpenes ketones

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Coraliitalea Coralii		isolate from the algal Chromera velia CCAP 1602/1	Koteska et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Coraliitalea Coralii	marine broth agar	OSSA/GC-MS	no

(5E)-6,10-dimethylundeca-5,9-dien-2-one

Mass-Spectra

Compound Details

Synonymous names

Geranylacetone

Geranyl acetone

3796-70-1

689-67-8

(5E)-6,10-dimethylundeca-5,9-dien-2-one

(E)-6,10-Dimethylundeca-5,9-dien-2-one

trans-Geranylacetone

5,9-Undecadien-2-one, 6,10-dimethyl-

(E)-6,10-Dimethyl-5,9-undecadien-2-one

(E)-geranylacetone

6,10-Dimethyl-5,9-undecadien-2-one

Dihydropseudoionone

6,10-Dimethylundeca-5,9-dien-2-one

FEMA No. 3542

cis,trans-Geranylacetone

5,9-Undecadien-2-one, 6,10-dimethyl-, (E)-

5,9-Undecadien-2-one, 6,10-dimethyl-, (5E)-

9B7RY79U9Z

trans-6,10-Dimethyl-5,9-undecadien-2-one

6,10-Dimethyl-5(E),9-undecadien-2-one

6,10-dimethyl-(E)-5,9-undecadien-2-one

6,10-dimethyl-5,9-undecadiene-2-one

DTXCID901586

Geranylacetone, trans-

.alpha.,.beta.-Dihydropseudoionone

Geranylacetone(Z/E)

NSC 406679

2,6-dimethylundeca-2,6-dien-10-one

6,10-Dimethyl-undeca-5,9-dien-2-one

CAS-689-67-8

(5E)-6,10-dimethyl-2-undeca-5,9-dienone

(5E)-6,10-Dimethyl-5,9-undecadien-2-one

EINECS 223-269-8

DTXSID1021586

UNII-9B7RY79U9Z

E-geranylacetone

MFCD00008910

Undecadien-2-one, 6,10-dimethyl-

2,6-Dimethyl-2,6-undecadien-2-one, trans-

6,10-Dimethyl-5,9-undecadien-2-one, trans-

E-geranyl acetone

6,10-Dimethyl-5,9-undecadien-2-one, (E)-

68228-05-7

Geranyl-2-propanone

(E/Z)-Geranylacetone

97%(total of isomers)

5, 6,10-dimethyl-

SCHEMBL112855

SCHEMBL112856

AMY806

DTXSID4052053

CHEBI:67206

HY-N8446

EINECS 269-400-2

Tox21_202156

Tox21_302933

AC1127

BBL027735

LMFA11000696

NSC406679

STK709221

6,10-dimethyl-5,9-undecadien-2-on

AKOS005522601

MCULE-9307860172

NSC-406679

NCGC00249179-01

NCGC00256556-01

NCGC00259705-01

(4-Trifluoromethyl-phenyl)-phosphonicacid

TS-09793

GERANYLACETONE (MIXTURE OF ISOMERS)

(5E)-6,10-dimethyl-5,9-undecen-2-one

HY-142037

CS-0144246

CS-0343195

G0236

NS00010772

EN300-125485

A836300

SR-01000526349

SR-01000526349-1

W-104645

6,10-DIMETHYL-5,9-UNDECADIEN-2-ONE [FHFI]

Q27135687

6,10-Dimethyl-5,9-undecadien-2-one, >=97%, stabilized, FG

Geranylacetone, (E)+(Z), 97%, (Z)-isomer (nerylacetone) ca 45%

Microorganism:

Yes

IUPAC name

(5E)-6,10-dimethylundeca-5,9-dien-2-one

SMILES

CC(=CCCC(=CCCC(=O)C)C)C

Inchi

InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9+

Formula

C₁₃H₂₂O

PubChem ID

1549778

Molweight

194.31

LogP

3.7

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

terpenes ketones

CHEBI-ID

67206

Supernatural-ID

SN0130809-01

mVOC Specific Details

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008402

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP008403

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Bacillus Acidiceler		NA	Méndez-Bravo et al. 2018
Prokaryota	Bacillus Sp.	antifungal activity against Fusarium solani	Rhizosphere soil of avocado	Guevara-Avendaño et al. 2019
Eukaryota	Candida Albicans		ATCC MYA-2876, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Glabrata		ATCC 90030, American Type Culture Collection	Costa et al. 2020
Eukaryota	Candida Tropicalis		ATCC 750, American Type Culture Collection	Costa et al. 2020
Prokaryota	Arthrobacter Phenanthrenivorans	antifungal effect on the growth of Alternaria alternata, Corynespora cassiicola and Stemphylium lycopersici (pathogens of tomato plants)	shoots of tomato plants (Elpida F1, Enza Zaden) with symptoms of Gray leaf spot	López et al. 2021
Prokaryota	Coraliitalea Coralii		isolate from the algal Chromera velia CCAP 1602/1	Koteska et al. 2023
Eukaryota	Trichoderma Viride		NA	Hung et al. 2013
Prokaryota	Streptomyces Sp.	na	breathing zone of a waste collection worker	Wilkins 1996
Prokaryota	Streptomyces Sp.	n/a	NA	Dickschat et al. 2005_2
Eukaryota	Pleurotus Cystidiosus	na	na	Usami et al. 2014
Prokaryota	Myxococcus Xanthus	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Cytophaga-Flavobacteria-Bacteroides Group	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Myxobacterium Sp.	n/a	NA	Dickschat et al. 2004
Prokaryota	Cytophaga-Flavobacterium-Bacteroides	n/a	NA	Dickschat et al. 2005_3
Prokaryota	Loktanella Sp.	n/a	NA	Dickschat et al. 2005_4
Prokaryota	Dinoroseobacter Shibae	n/a	NA	Dickschat et al. 2005_4
Prokaryota	Stigmatella Aurantiaca	n/a	NA	Dickschat et al. 2005_5
Prokaryota	Burkholderia Ambifaria	n/a	Burkholderia ambifaria LMG 17828 from root, LMG 19182 from rhizosphere and LMG 19467 from clinical.	Groenhagen et al. 2013
Prokaryota	Xanthomonas Campestris	n/a	NA	Weise et al. 2012
Prokaryota	Pseudomonas Syringae	na	phyllosphere of field-grown potato plants	Hunziker et al. 2015
Eukaryota	Ganoderma Lucidum	na	saprophytic on deciduous trees	Campos Ziegenbein et al. 2006
Eukaryota	Spongiporus Leucomallellus	na	saprophytic mostly on wet, old pines	Campos Ziegenbein et al. 2006
Eukaryota	Tuber Borchii	None	T. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China).	Splivallo et al. 2007b
Eukaryota	Tuber Melanosporum	None	T. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China).	Splivallo et al. 2007b
Prokaryota	Lentilactobacillus Buchneri	NA	NA	Squara et al. 2022
Prokaryota	Lacticaseibacillus Paracasei	NA	NA	Squara et al. 2022
Eukaryota	Cryptococcus Nemorosus	NA	NA	Ljunggren et al. 2019
Eukaryota	Metschnikowia Pulcherrima	NA	NA	Ljunggren et al. 2019
	Bacillus Thuringiensis			Koilybayeva et al. 2023

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Bacillus Acidiceler	LB agar	SPME / GS-MS	no
Prokaryota	Bacillus Sp.	LB agar	SPME-GC-MS	no
Eukaryota	Candida Albicans	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Candida Glabrata	YGC media	HS-SPME/GC-GC-ToFMS	no
Eukaryota	Candida Tropicalis	YGC media	HS-SPME/GC-GC-ToFMS	no
Prokaryota	Arthrobacter Phenanthrenivorans	TYB media	GC-MS	no
Prokaryota	Coraliitalea Coralii	marine broth agar	OSSA/GC-MS	no
Eukaryota	Trichoderma Viride	Malt extract agar	Headspace volatiles collected with colomn/TD-GC-MS	yes
Prokaryota	Streptomyces Sp.	Nutrient agar CM3 + 50mg/l actidione	GC/MS	no
Prokaryota	Streptomyces Sp.	n/a	n/a	no
Eukaryota	Pleurotus Cystidiosus	na	GC/MS, GC-O, AEDA	no
Prokaryota	Myxococcus Xanthus	n/a	n/a	no
Prokaryota	Cytophaga-Flavobacteria-Bacteroides Group	n/a	n/a	no
Prokaryota	Myxobacterium Sp.	n/a	n/a	no
Prokaryota	Cytophaga-Flavobacterium-Bacteroides	n/a	n/a	no
Prokaryota	Loktanella Sp.	n/a	n/a	no
Prokaryota	Dinoroseobacter Shibae	n/a	n/a	no
Prokaryota	Stigmatella Aurantiaca	n/a	n/a	no
Prokaryota	Burkholderia Ambifaria	Luria-Bertani medium, Malt Extract	n/a	no
Prokaryota	Xanthomonas Campestris	NBII	Closed airflow-system/GC-MS and PTR-MS	no
Prokaryota	Pseudomonas Syringae	LB medium	GC/MS	yes
Eukaryota	Ganoderma Lucidum	na	GC/MS	no
Eukaryota	Spongiporus Leucomallellus	na	GC/MS	no
Eukaryota	Tuber Borchii	None	None	yes
Eukaryota	Tuber Melanosporum	None	None	yes
Prokaryota	Lentilactobacillus Buchneri	maize silage	HS-SPME coupled with GC-TOF MS	no
Prokaryota	Lacticaseibacillus Paracasei	maize silage	HS-SPME coupled with GC-TOF MS	no
Eukaryota	Cryptococcus Nemorosus	liquid YPD medium	GC-MS	no
Eukaryota	Metschnikowia Pulcherrima	liquid YPD medium	GC-MS	no
	Bacillus Thuringiensis	bacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)	GC–MS	no

1-(2,6,6-trimethylcyclohexen-1-yl)butane-1,3-dione

Compound Details

Synonymous names

39900-12-4

1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)butane-1,3-dione

EINECS 254-692-6

T78XI898CO

1-(2,6,6-trimethylcyclohexen-1-yl)butane-1,3-dione

UNII-T78XI898CO

1,3-Butanedione, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-

4-oxodihydro-beta-ionone

SCHEMBL11328784

DTXSID00192954

NS00013270

Q27896786

1-(2,6,6-Trimethyl-cyclohex-1-enyl)-butane-1,3-dione

2,6,6-trimethyl-1-[1,3-dioxo-but-1-yl]-cyclohex-1-ene

1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-1,3-butanedione #

1-(2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)BUTANE-1,3-DIONE

Microorganism:

Yes

IUPAC name

1-(2,6,6-trimethylcyclohexen-1-yl)butane-1,3-dione

SMILES

CC1=C(C(CCC1)(C)C)C(=O)CC(=O)C

Inchi

InChI=1S/C13H20O2/c1-9-6-5-7-13(3,4)12(9)11(15)8-10(2)14/h5-8H2,1-4H3

Formula

C₁₃H₂₀O₂

PubChem ID

596923

Molweight

208.3

LogP

2.5

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

terpenes ketones

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Phormidium Sp.	n/a	NA	Schulz and Dickschat 2007

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Phormidium Sp.	n/a	n/a	no

1,1,4a-trimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one

Compound Details

Synonymous names

4668-61-5

1,1,4A-trimethyl-3,4,4a,5,6,7-hexahydronaphthalen-2(1H)-one

SCHEMBL21002316

GRCMSFFGWKAZLY-UHFFFAOYSA-N

1,1,4a-trimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one

2(1H)-Naphthalenone, 3,4,4a,5,6,7-hexahydro-1,1,4a-trimethyl-

AKOS024323047

MCULE-9111462538

1,1,4a-Trimethyl-3,4,4a,5,6,7-hexahydro-2(1H)-naphthalenone #

1,1,4A-TRIMETHYL-3,4,4A,5,6,7-HEXAHYDRO-1H-NAPHTHALEN-2-ONE

Microorganism:

Yes

IUPAC name

1,1,4a-trimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one

SMILES

CC1(C(=O)CCC2(C1=CCCC2)C)C

Inchi

InChI=1S/C13H20O/c1-12(2)10-6-4-5-8-13(10,3)9-7-11(12)14/h6H,4-5,7-9H2,1-3H3

Formula

C₁₃H₂₀O

PubChem ID

535380

Molweight

192.3

LogP

3.1

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

terpenes ketones

Supernatural-ID

SN0113145

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Lactobacillus Plantarum		NA	Yang et al. 2022

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Lactobacillus Plantarum	ginkgo biloba kernel juice	triple quadrupole GC-MS	no

4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-one

Mass-Spectra

Compound Details

Synonymous names

Dihydro-beta-ionone

17283-81-7

4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone

4-(2,6,6-trimethylcyclohex-1-en-1-yl)butan-2-one

7,8-Dihydro-beta-ionone

2-Butanone, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-

FEMA No. 3626

4-(2,6,6-Trimethyl-1-cyclohexenyl)-2-butanone

4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-one

Dihydro-b-ionone

UNII-710YK6CESE

EINECS 241-318-1

710YK6CESE

4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)butan-2-one

AI3-32482

Dihydro-.beta.-ionone

DTXSID4047200

CHEBI:18015

.alpha.,.beta.-Dihydro-.beta.-ionone

Dihydro-|A-ionone

Latia oxyluciferin

Dihydro-fA-ionone

5-Megastigmen-9-one

DIHYDRO-?-IONONE

.beta.-Ionone, dihydro-

7,8-Dehydro-beta-ionone

C03527

.beta.-7,8-Dihydroionone

4-(2,6,6-trimethyl-1-cyclohexenyl)butan-2-one

7,8-Dihydro-.beta.-ionone

SCHEMBL441670

alpha,beta-Dihydro-beta-ionone

Dihydro-beta-ionone, >=90%

CHEMBL3188345

DTXCID2027200

Tox21_302666

MFCD00456730

AKOS015903877

DIHYDRO-.BETA.-IONONE [FHFI]

FS-4346

NCGC00256712-01

CAS-17283-81-7

CS-0153466

D5751

NS00013271

D93119

4-(2,6,6-trimethyl-1-cyclohexenyl)-butan-2-one

4-(2,6,6-trimethylcyclohex-1-enyl)butan-2-one

4-(2,6,6-trimethyl-cyclohex-1-enyl)-butan-2-one

1-(1,1,5-Trimethylcyclohex-5-en-6-yl)-butan-3-one

4-(2,6,6-trimethyl-cyclohex-1 -enyl)-butan-2-one

Q27102766

4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone, 9CI

2-BUTANONE, 4-(2,6,6- TRIMETHYL-1-CYCLOHEXEN-1-YL)-

InChI=1/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-9H2,1-4H

Microorganism:

Yes

IUPAC name

4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-one

SMILES

CC1=C(C(CCC1)(C)C)CCC(=O)C

Inchi

InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-9H2,1-4H3

Formula

C₁₃H₂₂O

PubChem ID

519382

Molweight

194.31

LogP

2.7

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

terpenes ketones

CHEBI-ID

18015

Supernatural-ID

SN0307056

mVOC Specific Details

MS-Links

MS-MS Spectrum 136355

MS-MS Spectrum 136354

MS-MS Spectrum 50099

MS-MS Spectrum 136353

MS-MS Spectrum 50097

MS-MS Spectrum 50098

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Calothrix Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Plectonema Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Phormidium Sp.	n/a	NA	Schulz and Dickschat 2007
Prokaryota	Cyanobacteria Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Calothrix Parietina	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Plectonema Notatum	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Plectonema Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Rivularia Sp.	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Rivularia Sp./Calothrix Parietina	n/a	NA	Hoeckelmann et al. 2004
Prokaryota	Lentilactobacillus Buchneri	NA	NA	Squara et al. 2022
Prokaryota	Lacticaseibacillus Paracasei	NA	NA	Squara et al. 2022

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Calothrix Sp.	n/a	n/a	no
Prokaryota	Plectonema Sp.	n/a	n/a	no
Prokaryota	Phormidium Sp.	n/a	n/a	no
Prokaryota	Cyanobacteria Sp.	n/a	n/a	no
Prokaryota	Calothrix Parietina	n/a	n/a	no
Prokaryota	Plectonema Notatum	n/a	n/a	no
Prokaryota	Rivularia Sp.	n/a	n/a	no
Prokaryota	Rivularia Sp./Calothrix Parietina	n/a	n/a	no
Prokaryota	Lentilactobacillus Buchneri	maize silage	HS-SPME coupled with GC-TOF MS	no
Prokaryota	Lacticaseibacillus Paracasei	maize silage	HS-SPME coupled with GC-TOF MS	no

6,10-dimethylundec-9-en-2-one

Compound Details

Synonymous names

6,10-Dimethylundec-9-en-2-one

3,4,5,6-Tetrahydropseudoionone

Citronellylacetone

Tetrahydro-pseudo-ionone

Dihydrogeranylacetone

1322-58-3

4433-36-7

9-Undecen-2-one, 6,10-dimethyl-

6,10-Dimethyl-9-undecen-2-one

citronellyl acetone

FEMA No. 3059

6,10-Dimethylundecen-2-one

3DAE8640XJ

BRN 1765213

EINECS 224-634-4

UNII-3DAE8640XJ

Tetrahydropseudoionone

TETRAMERAN

4-01-00-03529 (Beilstein Handbook Reference)

SCHEMBL1472117

6,10-Dimethyl-Undecen-2-one

FEMA 3059

DTXSID70110009

CHEBI:185517

6,10-dimethylundeca-9-en-2-one

6,10-dimethyl-undeca-9-en-2-one

EINECS 215-340-7

6,10-Dimethyl-9-undecen-2-one #

AKOS006272813

TETRAHYDRO-PSEUDO-IONONE [FHFI]

(+/-)-TETRAHYDRO-PSEUDO-IONONE

TETRAHYDRO-PSEUDO-IONONE, (+/-)-

NS00012236

EN300-1832800

Q27257070

Microorganism:

Yes

IUPAC name

6,10-dimethylundec-9-en-2-one

SMILES

CC(CCCC(=O)C)CCC=C(C)C

Inchi

InChI=1S/C13H24O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,12H,5-6,8-10H2,1-4H3

Formula

C₁₃H₂₄O

PubChem ID

102604

Molweight

196.33

LogP

4.1

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

terpenes ketones

CHEBI-ID

185517

Supernatural-ID

SN0205131

mVOC Specific Details

Boiling Point

Degree	Reference
234 median

MS-Links

MS-MS Spectrum 166279

MS-MS Spectrum 166280

MS-MS Spectrum 166278

MS-MS Spectrum 100830

MS-MS Spectrum 100831

MS-MS Spectrum 100832

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Streptomyces Sp.	n/a	NA	Dickschat et al. 2005_2

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Streptomyces Sp.	n/a	n/a	no

(1S,4S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one

Compound Details

Synonymous names

beta-Thujone

(+)-Isothujone

(+)-3-Thujone

(+)-Thujone

471-15-8

d-Isothujone

(+)-beta-Thujone

Isothujone

THUJONE

D-beta-Thujone

(1S,4S,5R)-(+)-3-thujanone

trans-thujone

d-Thujone

NSC 67392

3-Thujanone, (1S,4S,5R)-(+)-

8ZI5R3T54Q

(1S,4S,5R)-1-isopropyl-4-methylbicyclo[3.1.0]hexan-3-one

CHEBI:50045

(1s,4s,5r)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one

[1S-(1alpha,4beta,5alpha)]-4-methyl-1-(1-methylethyl)bicyclo[3.1.0]hexan-3-one

cis-Thujone

.beta.-Thujone

(1S,4S,5R)-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one (1S,4S,5R)-thujan-3-one

(+)-thujan-3-one

UNII-8ZI5R3T54Q

NSC67392

beta Thujone

AI3-11501

NSC-67392

D-beta

thujone (trans-)

(+)-cis-Thujone

(+)-b-Thujone

SCHEMBL337540

.BETA.-THUJONE [MI]

(1S,4S,5R)-thujan-3-one

CHEMBL3277898

DTXSID7057575

USMNOWBWPHYOEA-XKSSXDPKSA-N

(1S,4S,5R)-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one

(+)-Isothujone ((+)-beta-Thujone)

AKOS006240449

LMPR0102120039

Bicyclo(3.1.0)hexan-3-one, 4-methyl-1-(1-methylethyl)-, (1S-(1-alpha,4-beta,5-alpha))-

NS00076400

C20260

Q27121861

BICYCLO(3.1.0)HEXAN-3-ONE, 4-METHYL-1-(1-METHYLETHYL)-, (1S,4S,5R)

Microorganism:

Yes

IUPAC name

(1S,4S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one

SMILES

CC1C2CC2(CC1=O)C(C)C

Inchi

InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8+,10-/m0/s1

Formula

C₁₀H₁₆O

PubChem ID

91456

Molweight

152.23

LogP

2.3

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

terpenes ketones

CHEBI-ID

50045

Supernatural-ID

SN0378958-08

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Streptomyces Sp.	n/a	NA	Dickschat et al. 2005_2
Prokaryota	Streptomyces Caviscabies	n/a	NA	Schulz and Dickschat 2007

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Streptomyces Sp.	n/a	n/a	no
Prokaryota	Streptomyces Caviscabies	n/a	n/a	no

Results for: chemical Classification: terpenes

4-ethenyl-1,4-dimethyl-3-(2-methylprop-1-enyl)cycloheptene

Compound Details

mVOC Specific Details

1,2,5,5,8a-pentamethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene

Compound Details

mVOC Specific Details

Phosphono [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] Hydrogen Phosphate

Compound Details

mVOC Specific Details

1-methyl-4-propan-2-yl-2,3-dioxabicyclo[2.2.2]oct-5-ene

Compound Details

mVOC Specific Details

6-[(Z)-but-2-en-2-yl]-3-methylpyran-2-one

Compound Details

mVOC Specific Details

(1R,2S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.01,5]undec-5-en-4-one

Compound Details

mVOC Specific Details

(4aR,8R,8aS)-4a,8-dimethyl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one

Compound Details

mVOC Specific Details

(2R,5R)-2-methyl-5-propan-2-ylcyclohexan-1-one

Compound Details

mVOC Specific Details

(4aS,8S)-4a,8-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one

Compound Details

mVOC Specific Details

(E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one

Compound Details

mVOC Specific Details

(E)-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one

Compound Details

mVOC Specific Details

2,4,4-trimethyl-3-[(E)-3-oxobut-1-enyl]cyclohex-2-en-1-one

Compound Details

mVOC Specific Details

(3E,5E)-6,10-dimethylundeca-3,5,9-trien-2-one

Compound Details

mVOC Specific Details

(3E,5Z)-6,10-dimethylundeca-3,5,9-trien-2-one

Compound Details

mVOC Specific Details

(5E)-6,10-dimethylundeca-5,9-dien-2-one

Compound Details

mVOC Specific Details

1-(2,6,6-trimethylcyclohexen-1-yl)butane-1,3-dione

Compound Details

mVOC Specific Details

1,1,4a-trimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one

Compound Details

mVOC Specific Details

4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-one

Compound Details

mVOC Specific Details

6,10-dimethylundec-9-en-2-one

Compound Details

mVOC Specific Details

(1S,4S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one

Compound Details

mVOC Specific Details

Results for:
chemical Classification: terpenes