Molecule ID: 5284649

IUPAC Name: 6,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one

Description: The molecule is a hydroxyisoflavone that is daidzein bearing an additional hydroxy substituent at position 6. It has a role as a metabolite, a PPARalpha agonist, a PPARgamma agonist, an anti-inflammatory agent, an antimutagen and an EC 1.14.18.1 (tyrosinase) inhibitor. It derives from a daidzein.

SMILES: O=c1c(-c2ccc(O)cc2)coc2cc(O)c(O)cc12

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

InChI: InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-14-6-13(18)12(17)5-10(14)15(11)19/h1-7,16-18H

Molecular Properties:
- Polar Surface Area: 87.0 Ų
- LogP: 2.1