Results for:
chemical Classification: dioxolanes

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 name	2-(1,3-benzodioxol-5-yl)-8-methoxy-3-nitro-2H-chromene
SMILES	COC1=CC=CC2=C1OC(C(=C2)[N+](=O)[O-])C3=CC4=C(C=C3)OCO4
Inchi	InChI=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
Formula	C17H13NO6
PubChem ID	624668
Molweight	327.29
LogP	3.3
Atoms	24
Bonds	2
H-bond Acceptor	6
H-bond Donor	0
Chemical Classification	chromenes benzenoids dioxolanes esters aromatic compounds nitro compounds

mVOC Specific Details

Species emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Eukaryota Saccharomyces Cerevisiae NA NA Harris et al. 2021
Method	Kingdom Species Growth Medium Applied Method Verification Eukaryota Saccharomyces Cerevisiae malt extract broth HS-SPME with GC-MS no

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 name	2,4,5-trimethyl-1,3-dioxolane
SMILES	CC1C(OC(O1)C)C
Inchi	InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7-4/h4-6H,1-3H3
Formula	C6H12O2
PubChem ID	102967
Molweight	116.16
LogP	1.1
Atoms	8
Bonds	0
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	ethers dioxolanes heterocyclic compounds
CHEBI-ID	87572
Supernatural-ID	SN0128703

mVOC Specific Details

Species emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Eukaryota Aspergillus Flavus ITEM collection of CNR-ISPA (Research National Council of Italy - Institute of Sciences of Food Production) in Bari, Italy Josselin et al. 2021
Method	Kingdom Species Growth Medium Applied Method Verification Eukaryota Aspergillus Flavus SNA media SPME/GC-MS no