Molecule ID: 5280551

IUPAC Name: 7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)chromen-4-one

Description: The molecule is a member of the class of 4'-methoxyisoflavones that is formononetin with a hydroxy group at the 2'position. It has a role as an anti-inflammatory agent. It is a member of 7-hydroxyisoflavones and a member of 4'-methoxyisoflavones. It derives from a formononetin. It is a conjugate acid of a 2'-hydroxyformononetin(1-).

SMILES: COc1ccc(-c2coc3cc(O)ccc3c2=O)c(O)c1

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

InChI: InChI=1S/C16H12O5/c1-20-10-3-5-11(14(18)7-10)13-8-21-15-6-9(17)2-4-12(15)16(13)19/h2-8,17-18H,1H3

Molecular Properties:
- Polar Surface Area: 76.0 Ų
- LogP: 2.4