Results for:
chemical Classification: dioxolanes

2,4,5-trimethyl-1,3-dioxolane

Compound Details

Synonymous names
2,4,5-Trimethyl-1,3-dioxolane
3299-32-9
1,3-Dioxolane, 2,4,5-trimethyl-
EINECS 221-969-8
SCHEMBL1936758
SCHEMBL13469391
CHEBI:87572
DTXSID50863147
2,4,5-Trimethyl-1,3-dioxolane #
DB-279020
NS00048945
Q27159741
Microorganism:

No

IUPAC name2,4,5-trimethyl-1,3-dioxolane
SMILESCC1C(OC(O1)C)C
InchiInChI=1S/C6H12O2/c1-4-5(2)8-6(3)7-4/h4-6H,1-3H3
FormulaC6H12O2
PubChem ID102967
Molweight116.16
LogP1.1
Atoms8
Bonds0
H-bond Acceptor2
H-bond Donor0
Chemical Classificationethers dioxolanes heterocyclic compounds
CHEBI-ID87572
Supernatural-IDSN0128703

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaAspergillus FlavusITEM collection of CNR-ISPA (Research National Council of Italy - Institute of Sciences of Food Production) in Bari, ItalyJosselin et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaAspergillus FlavusSNA mediaSPME/GC-MSno


3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)propyl Benzoate

Compound Details

Synonymous names
SCHEMBL14552282
STHNKYXCDKGCJL-UHFFFAOYSA-N
3-(6,7-Dimethoxy-1,3-benzodioxol-5-yl)propyl benzoate #
Benzoic acid, 3-(2,3-dimethoxy-4,5-methylenedioxyphenyl)propyl ester
Microorganism:

No

IUPAC name3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)propyl benzoate
SMILESCOC1=C(C2=C(C=C1CCCOC(=O)C3=CC=CC=C3)OCO2)OC
InchiInChI=1S/C19H20O6/c1-21-16-14(11-15-17(18(16)22-2)25-12-24-15)9-6-10-23-19(20)13-7-4-3-5-8-13/h3-5,7-8,11H,6,9-10,12H2,1-2H3
FormulaC19H20O6
PubChem ID570355
Molweight344.4
LogP3.8
Atoms25
Bonds8
H-bond Acceptor6
H-bond Donor0
Chemical Classificationaromatic compounds benzenoids dioxolanes esters ethers heterocyclic compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Aspergillus NigerKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Aspergillus Nigerinoculated potato samplesGC-MSno


2-spiro[1,3-dioxolane-2,2'-3,4-dihydro-1H-naphthalene]-1'-ylethyl Acetate

Compound Details

Synonymous names
Acetic acid, 2-(3',4'-dihydro-1'H-spiro[[1,3]dioxolane-2,2'-naphthalen]-1'-yl)ethyl ester
VOZBYQOWPIEZBH-UHFFFAOYSA-N
Microorganism:

No

IUPAC name2-spiro[1,3-dioxolane-2,2'-3,4-dihydro-1H-naphthalene]-1'-ylethyl acetate
SMILESCC(=O)OCCC1C2=CC=CC=C2CCC13OCCO3
InchiInChI=1S/C16H20O4/c1-12(17)18-9-7-15-14-5-3-2-4-13(14)6-8-16(15)19-10-11-20-16/h2-5,15H,6-11H2,1H3
FormulaC16H20O4
PubChem ID582618
Molweight276.33
LogP2.1
Atoms20
Bonds4
H-bond Acceptor4
H-bond Donor0
Chemical Classificationaromatic compounds benzenoids dioxolanes esters heterocyclic compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Aspergillus FlavusKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Aspergillus Flavusinoculated potato samplesGC-MSno


[4-[2-[2-(chloromethyl)-1,3-dioxolan-2-yl]ethyl]phenyl] Acetate

Compound Details

Synonymous names
55255-66-8
UXPZNYVREOVZQQ-UHFFFAOYSA-N
Phenol, 4-[2-[2-(chloromethyl)-1,3-dioxolan-2-yl]ethyl]-, acetate
DB-316113
4-(2-[2-(Chloromethyl)-1,3-dioxolan-2-yl]ethyl)phenyl acetate #
4-[2-[2-(Chloromethyl)-1,3-dioxolan-2-yl ]ethyl ]phenol acetate
Microorganism:

No

IUPAC name[4-[2-[2-(chloromethyl)-1,3-dioxolan-2-yl]ethyl]phenyl] acetate
SMILESCC(=O)OC1=CC=C(C=C1)CCC2(OCCO2)CCl
InchiInChI=1S/C14H17ClO4/c1-11(16)19-13-4-2-12(3-5-13)6-7-14(10-15)17-8-9-18-14/h2-5H,6-10H2,1H3
FormulaC14H17ClO4
PubChem ID606451
Molweight284.73
LogP2.3
Atoms19
Bonds6
H-bond Acceptor4
H-bond Donor0
Chemical Classificationaromatic compounds benzenoids chlorides dioxolanes esters halogenated compounds heterocyclic compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Aspergillus NigerKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Aspergillus Nigerinoculated potato samplesGC-MSno


5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-15-one

Compound Details

Synonymous names
1,2-Didehydrocrinan-3-one
SCHEMBL19529634
LUMDZQACZMCPFS-UHFFFAOYSA-N
Microorganism:

Yes

IUPAC name5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-15-one
SMILESC1CN2CC3=CC4=C(C=C3C15C2CC(=O)C=C5)OCO4
InchiInChI=1S/C16H15NO3/c18-11-1-2-16-3-4-17(15(16)6-11)8-10-5-13-14(7-12(10)16)20-9-19-13/h1-2,5,7,15H,3-4,6,8-9H2
FormulaC16H15NO3
PubChem ID622836
Molweight269.29
LogP1.6
Atoms20
Bonds0
H-bond Acceptor4
H-bond Donor0
Chemical Classificationamines aromatic compounds benzenoids dioxolanes heterocyclic compounds ketones
Supernatural-IDSN0215758

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Pectobacterium CarotovorumKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Pectobacterium Carotovoruminoculated potato samplesGC-MSno


2-(1,3-benzodioxol-5-yl)-8-methoxy-3-nitro-2H-chromene

Compound Details

Synonymous names
Oprea1_282427
2-(1,3-Benzodioxol-5-yl)-8-methoxy-3-nitro-2H-chromene
QWOUKIOUQBZKAX-UHFFFAOYSA-N
STK766366
AKOS001731446
MCULE-6929798478
EU-0019489
SR-01000535882
SR-01000535882-1
2-Benzo[1,3]dioxol-5-yl-8-methoxy-3-nitro-2H-chromene
2-(1,3-Benzodioxol-5-yl)-8-methoxy-3-nitro-2H-chromene #
2-(1,3-BENZODIOXOL-5-YL)-3-NITRO-2H-CHROMEN-8-YL METHYL ETHER
Microorganism:

Yes

IUPAC name2-(1,3-benzodioxol-5-yl)-8-methoxy-3-nitro-2H-chromene
SMILESCOC1=CC=CC2=C1OC(C(=C2)[N+](=O)[O-])C3=CC4=C(C=C3)OCO4
InchiInChI=1S/C17H13NO6/c1-21-14-4-2-3-10-7-12(18(19)20)16(24-17(10)14)11-5-6-13-15(8-11)23-9-22-13/h2-8,16H,9H2,1H3
FormulaC17H13NO6
PubChem ID624668
Molweight327.29
LogP3.3
Atoms24
Bonds2
H-bond Acceptor6
H-bond Donor0
Chemical Classificationchromenes benzenoids dioxolanes esters aromatic compounds nitrogen compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


6,11-dimethoxy-5-methyl-[1,3]dioxolo[4,5-b]acridin-10-one

Compound Details

Synonymous names
Tecleanthine
Tecleanthin
6,11-dimethoxy-5-methyl-[1,3]dioxolo[4,5-b]acridin-10-one
1,3-Dioxolo[4,5-b]acridin-10(5H)-one, 6,11-dimethoxy-5-methyl-
CHEMBL455629
QYWWGVQKWKTLMU-UHFFFAOYSA-N
6,11-Dimethoxy-5-methyl[1,3]dioxolo[4,5-b]acridin-10(5H)-one #
Microorganism:

No

IUPAC name6,11-dimethoxy-5-methyl-[1,3]dioxolo[4,5-b]acridin-10-one
SMILESCN1C2=CC3=C(C(=C2C(=O)C4=C1C(=CC=C4)OC)OC)OCO3
InchiInChI=1S/C17H15NO5/c1-18-10-7-12-16(23-8-22-12)17(21-3)13(10)15(19)9-5-4-6-11(20-2)14(9)18/h4-7H,8H2,1-3H3
FormulaC17H15NO5
PubChem ID628642
Molweight313.3
LogP2.9
Atoms23
Bonds2
H-bond Acceptor6
H-bond Donor0
Chemical Classificationamines dioxolanes ethers heterocyclic compounds ketones nitrogen compounds
Supernatural-IDSN0318905

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Aspergillus NigerKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Aspergillus Nigerinoculated potato samplesGC-MSno


(E)-3-(1,3-benzodioxol-5-yl)-1-quinolin-2-ylprop-2-en-1-one

Compound Details

Synonymous names
AZVIRQANECFTPT-WEVVVXLNSA-N
3-(3,4-(Methylenedioxy)phenyl)-1-(2-quinolyl)-2-propen-1-one
(2E)-3-(1,3-Benzodioxol-5-yl)-1-(2-quinolinyl)-2-propen-1-one #
Microorganism:

No

IUPAC name(E)-3-(1,3-benzodioxol-5-yl)-1-quinolin-2-ylprop-2-en-1-one
SMILESC1OC2=C(O1)C=C(C=C2)C=CC(=O)C3=NC4=CC=CC=C4C=C3
InchiInChI=1S/C19H13NO3/c21-17(16-8-7-14-3-1-2-4-15(14)20-16)9-5-13-6-10-18-19(11-13)23-12-22-18/h1-11H,12H2/b9-5+
FormulaC19H13NO3
PubChem ID5378612
Molweight303.3
LogP4.1
Atoms23
Bonds3
H-bond Acceptor4
H-bond Donor0
Chemical Classificationaromatic compounds benzenoids dioxolanes heterocyclic compounds ketones nitrogen compounds quinolines

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Aspergillus FlavusKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Aspergillus Flavusinoculated potato samplesGC-MSno


7-methoxy-4-(7-methoxy-1,3-benzodioxol-5-yl)-3,4-dihydrochromen-2-one

Compound Details

Synonymous names
DLZIUZKXRJTQMV-UHFFFAOYSA-N
STL435524
AKOS024289802
7-METHOXY-4-(7-METHOXY-1,3-BENZODIOXOL-5-YL)-2-CHROMANONE
7-methoxy-4-(7-methoxy-1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromen-2-one
7-Methoxy-4-(7-methoxy-2H-1,3-benzodioxol-5-yl)-3,4-dihydro-1-benzopyran-2-one
Microorganism:

Yes

IUPAC name7-methoxy-4-(7-methoxy-1,3-benzodioxol-5-yl)-3,4-dihydrochromen-2-one
SMILESCOC1=CC2=C(C=C1)C(CC(=O)O2)C3=CC4=C(C(=C3)OC)OCO4
InchiInChI=1S/C18H16O6/c1-20-11-3-4-12-13(8-17(19)24-14(12)7-11)10-5-15(21-2)18-16(6-10)22-9-23-18/h3-7,13H,8-9H2,1-2H3
FormulaC18H16O6
PubChem ID46949264
Molweight328.3
LogP2.9
Atoms24
Bonds3
H-bond Acceptor6
H-bond Donor0
Chemical Classificationaromatic compounds benzenoids dioxolanes esters ethers heterocyclic compounds lactones

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Pectobacterium CarotovorumKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Pectobacterium Carotovoruminoculated potato samplesGC-MSno