Molecule ID: 97214

IUPAC Name: 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one

Description: The molecule is a trimethoxyflavone that is 6-hydroxyluteolin in which the phenolic hydogens at positions 4', 6 and 7 have been replaced by methyl groups. It has a role as a Brassica napus metabolite, an apoptosis inducer, a vasodilator agent, a calcium channel blocker, an anti-inflammatory agent, a P450 inhibitor and an antineoplastic agent. It is a dihydroxyflavone, a trimethoxyflavone and a polyphenol. It derives from a 6-hydroxyluteolin.

SMILES: COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)cc1O

SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][=N][C][=C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][O][O][Ring1][S][C][=C][Ring2][Ring1][=Branch1][O]

InChI: InChI=1S/C18H16O7/c1-22-12-5-4-9(6-10(12)19)13-7-11(20)16-14(25-13)8-15(23-2)18(24-3)17(16)21/h4-8,19,21H,1-3H3

Molecular Properties:
- Polar Surface Area: 94.4 Ų
- LogP: 2.9