Results for:
chemical Classification: chromenes

5-hydroxy-3-(4-methoxyphenyl)-7-trimethylsilyloxychromen-4-one

Compound Details

Synonymous names	Biochanin A, trimethylsilyl ether BGQIRODFLJPHQW-UHFFFAOYSA-N
Microorganism:	Yes
IUPAC name	5-hydroxy-3-(4-methoxyphenyl)-7-trimethylsilyloxychromen-4-one
SMILES	COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O[Si](C)(C)C
Inchi	InChI=1S/C19H20O5Si/c1-22-13-7-5-12(6-8-13)15-11-23-17-10-14(24-25(2,3)4)9-16(20)18(17)19(15)21/h5-11,20H,1-4H3
Formula	C19H20O5Si
PubChem ID	91743726
Molweight	356.4
LogP	0
Atoms	25
Bonds	4
H-bond Acceptor	5
H-bond Donor	1
Chemical Classification	ethers chromenes benzenoids phenols aromatic compounds organosilicon 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-(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

5-hydroxy-2-methylchromen-4-one

Compound Details

Synonymous names	5-hydroxy-2-methylchromone 1130-62-7 5-hydroxy-2-methyl-4H-chromen-4-one SCHEMBL620145 CHEMBL5219495 AKOS022639298 DB-123993
Microorganism:	No
IUPAC name	5-hydroxy-2-methylchromen-4-one
SMILES	CC1=CC(=O)C2=C(C=CC=C2O1)O
Inchi	InChI=1S/C10H8O3/c1-6-5-8(12)10-7(11)3-2-4-9(10)13-6/h2-5,11H,1H3
Formula	C10H8O3
PubChem ID	821390
Molweight	176.17
LogP	2.1
Atoms	13
Bonds	0
H-bond Acceptor	3
H-bond Donor	1
Chemical Classification	chromenes phenols heterocyclic compounds ketones benzenoids ethers
Supernatural-ID	SN0408080

mVOC Specific Details

Species emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Eukaryota Hypoxylon Invadens NA Dickschat et al. 2018
Method	Kingdom Species Growth Medium Applied Method Verification Eukaryota Hypoxylon Invadens YMG medium CSLA-GCMS yes