Results for:
chemical Classification: pyrones

7-[(2E)-3,7-dimethylocta-2,6-dienoxy]chromen-2-one

Mass-Spectra

Compound Details

Synonymous names
Auraptene
Aurapten
RSDDHGSKLOSQFK-RVDMUPIBSA-N
7-Geranyloxycoumarin
7-O-geranylumbelliferone
AC1LT3MK
NP344
F79I1ZEL2E
UPCMLD-DP061
UNII-F79I1ZEL2E
W1305
CHEMBL307341
CCRIS 8835
SPECTRUM1505176
HMS2270C13
Bio-0625
NSC711511
SCHEMBL2535029
SCHEMBL2535034
LP001357
STL457597
LP089607
CHEBI:93486
ZINC1658901
4CN-1163
CJ-26819
BDBM50361373
CHEBI:134355
ZINC01658901
CCG-208550
NSC-711511
MEGxp0_000091
Auraptene, >=98% (HPLC)
AKOS015969736
ACon1_000071
UPCMLD-DP061:001
MLS001049098
SMR000386931
Coumarin, 7-(geranyloxy)-
FT-0621413
495-02-3
MCULE-3823939164
NCGC00096070-01
NCGC00096070-03
NCGC00096070-04
NCGC00096070-05
NCGC00168822-01
29527-66-0
MolPort-001-740-270
7-(3,7-Dimethyl-octa-2,6-dienyloxy)-chromen-2-one
7-[(2E)-3,7-dimethylocta-2,6-dienoxy]chromen-2-one
Coumarin, 7-[(3,7-dimethyl-2,6-octadienyl)oxy]-, (E)-
7-{[(2E)-3,7-dimethyl-2,6-octadienyl]oxy}-2H-chromen-2-one
7-([(2E)-3,7-Dimethyl-2,6-octadienyl]oxy)-2H-chromen-2-one #
(E)-7-((3,7-Dimethylocta-2,6-dien-1-yl)oxy)-2H-chromen-2-one
7-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-2H-chromen-2-one
7-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-2H-1-benzopyran-2-one
7-[[(2E)-3,7-dimethyl-2,6-octadien-1-yl]oxy]-2H-1-benzopyran-2-one
2H-1-Benzopyran-2-one,7-[[(2E)-3,7-dimethyl-2,6-octadien-1-yl]oxy]-
2H-1-Benzopyran-2-one, 7-[(3,7-dimethyl-2,6-octadienyl)oxy]-, (E)-
2H-1-Benzopyran-2-one, 7-((3,7-dimethyl-2,6-octadienyl)oxy)-, (E)-
2H-1-Benzopyran-2-one, 7-[[(2E)-3,7-dimethyl-2,6-octadien-1-yl]oxy]-
Microorganism:

Yes

IUPAC name7-[(2E)-3,7-dimethylocta-2,6-dienoxy]chromen-2-one
SMILESCC(=CCCC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C)C
InchiInChI=1S/C19H22O3/c1-14(2)5-4-6-15(3)11-12-21-17-9-7-16-8-10-19(20)22-18(16)13-17/h5,7-11,13H,4,6,12H2,1-3H3/b15-11+
FormulaC19H22O3
PubChem ID1550607
Molweight298.382
LogP4.65
Atoms44
Bonds45
H-bond Acceptor2
H-bond Donor0
Chemical Classificationterpenes coumarins lactones ethers benzenoids pyrones

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiTuber Simonea March et al., 2006
FungiTuber Simonean/aAyme Truffe of Grignan, 26230 France March et al., 2006
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiTuber SimoneaPressure balanced head-space sampling and GC/TOF-MSNo
FungiTuber Simonean/aPressure balanced head-space sampling and GC/TOF-MS


6-heptylpyran-2-one

Compound Details

Synonymous names
SCHEMBL11774947
6-Heptyl-2H-pyran-2-one
Microorganism:

Yes

IUPAC name6-heptylpyran-2-one
SMILESCCCCCCCC1=CC=CC(=O)O1
InchiInChI=1S/C12H18O2/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h7,9-10H,2-6,8H2,1H3
FormulaC12H18O2
PubChem ID12271150
Molweight194.274
LogP3.69
Atoms32
Bonds32
H-bond Acceptor1
H-bond Donor0
Chemical Classificationlactones esters heterocyclic compounds pyrones

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Fungi Simon et al. 1988
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Fungi no


6-pentylpyran-2-one

Mass-Spectra

Compound Details

Synonymous names
MAUFTTLGOUBZNA-UHFFFAOYSA-N
8JTW8HL4PJ
AC1L1QN3
UNII-8JTW8HL4PJ
6-PENTYL-ALPHA-PYRONE
6 Amyl Alpha Pyrone
6-Amyl-alpha-pyrone
CTK6D7223
6-n-pentyl-alpha-pyrone
ACMC-209gy8
6-pentylpyran-2-one
6-Amyl-A-pyrone
OR28306
SCHEMBL968257
CHEMBL503899
6-Pentyl-2-pyrone
NSC721361
DTXSID0047589
6-Amyl-2-pyrone
CA-1136
SBB008445
AK307138
HE009631
FR-2070
CHEBI:66729
ZINC1663619
ANW-26238
6-pentyl-pyran-2-one
KB-45893
CJ-26861
DSSTox_GSID_47589
MFCD00047551
ZINC01663619
ZX-AT021943
DSSTox_RID_82436
DSSTox_CID_27589
2-Pyrone, 6-pentyl
C-50264
6-Pentyl-.alpha.-pyrone
TR-012343
ST50828007
6-Amyl-.alpha.-pyrone
NSC-721361
AKOS015839660
FEMA No. 3696
FT-0620947
TRA-0189859
5-Hydroxy-2,4-decadienoic acid delta-lactone
5-hydroxy-2,4-decadienoic acid gamma-lactone
.alpha.-Pyrone, 6-pentyl
6-N-Amyl .alpha.-pyrone
I14-85605
NCI60_041518
Tox21_302570
6-Pentyl-2H-pyran-2-one
Pyran-2-one, 6-pentyl-
NCGC00256764-01
MCULE-5618749422
EINECS 248-552-3
6-Amyl-alpha-pyrone, >=96%, FG
27593-23-3
2H-Pyran-2-one, 6-pentyl-
CAS-27593-23-3
Microorganism:

Yes

IUPAC name6-pentylpyran-2-one
SMILESCCCCCC1=CC=CC(=O)O1
InchiInChI=1S/C10H14O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h5,7-8H,2-4,6H2,1H3
FormulaC10H14O2
PubChem ID33960
Molweight166.22
LogP2.8
Atoms26
Bonds26
H-bond Acceptor1
H-bond Donor0
Chemical Classificationlactones heterocyclic compounds esters pyrones

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiTrichoderma Atroviride ATCC 74058n/aStoppacher et al., 2010
FungiTrichoderma Reesein/aCrutcher et al., 2013
FungiTrichoderma Atroviridenawater damaged buildings, BelgiumPolizzi et al., 2012
Fungi Aspergillus Sp.Kikuchi et al 1974
Fungi Fistulina HepaticaWu et al. 2005
Fungi Fusarium SolaniNago et al. 1993
Fungi Gleosporium Sp.Schaible et al. 2015
Fungi Trichoderma SppDickschat 2017
Fungi Trichoderma ViridaeCollinsand Halim 1972
FungiTrichoderma Asperellum IsmT5rhizosphere of maize cultivated in Ismailia,EgyptKottb et al. 2015
FungiTrichoderma Virensn/aCrutcher et al., 2013
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiTrichoderma Atroviride ATCC 74058Potato dextrose agarHS-SPME/GC-MS
FungiTrichoderma ReeseiPotato dextrose agarHS-SPME/GC-MS
FungiTrichoderma Atroviridemalt extract agar; potato dextrose agar; water agar; yeast extract agar; Czapek agarSPME-GC/MSNo
Fungi Aspergillus Sp.no
Fungi Fistulina Hepaticano
Fungi Fusarium Solanino
Fungi Gleosporium Sp.no
Fungi Trichoderma Sppno
Fungi Trichoderma Viridaeno
FungiTrichoderma Asperellum IsmT5nutrient broth agarSuper Q / GC/MSyes
FungiTrichoderma VirensPotato dextrose agarHS-SPME/GC-MS


6-propylpyran-2-one

Compound Details

Synonymous names
AC1O7LWQ
CTK1G2594
6-propylpyran-2-one
SCHEMBL981554
HE160439
DTXSID50425002
AKOS030537238
6-propyl-2h-pyran-2-one
BCB02_000145
BCB03_000242
5247-93-8
2H-Pyran-2-one, 6-propyl-
Microorganism:

Yes

IUPAC name6-propylpyran-2-one
SMILESCCCC1=CC=CC(=O)O1
InchiInChI=1S/C8H10O2/c1-2-4-7-5-3-6-8(9)10-7/h3,5-6H,2,4H2,1H3
FormulaC8H10O2
PubChem ID6610108
Molweight138.166
LogP1.92
Atoms20
Bonds20
H-bond Acceptor1
H-bond Donor0
Chemical Classificationlactones heterocyclic compounds esters pyrones

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Fungi Wickel et al. 2013
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Fungi no


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

Compound Details

Synonymous names
Fusalanipyrone
OTE9EB16UU
UNII-OTE9EB16UU
Microorganism:

Yes

IUPAC name6-[(Z)-but-2-en-2-yl]-3-methylpyran-2-one
SMILESCC=C(C)C1=CC=C(C(=O)O1)C
InchiInChI=1S/C10H12O2/c1-4-7(2)9-6-5-8(3)10(11)12-9/h4-6H,1-3H3/b7-4-
FormulaC10H12O2
PubChem ID11217427
Molweight164.204
LogP2.35
Atoms24
Bonds24
H-bond Acceptor1
H-bond Donor0
Chemical Classificationpyrones lactones heterocyclic compounds alkenes esters

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Fungi Fusarium SolaniAbraham and Arfmann 1988
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Fungi Fusarium Solanino