Molecule ID: 5281811

IUPAC Name: 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one

Description: The molecule is a methoxyisoflavone that is isoflavone substituted by a methoxy group at position 6 and hydroxy groups at positions 5, 7 and 4' respectively. It has a role as an anti-inflammatory agent and a plant metabolite. It is a member of 7-hydroxyisoflavones and a methoxyisoflavone. It derives from an isoflavone.

SMILES: COc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O

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

InChI: InChI=1S/C16H12O6/c1-21-16-11(18)6-12-13(15(16)20)14(19)10(7-22-12)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3

Molecular Properties:
- Polar Surface Area: 96.2 Ų
- LogP: 2.6