Molecule ID: 3764

IUPAC Name: 3-(4-hydroxyphenyl)-7-methoxychromen-4-one

Description: The molecule is a methoxyisoflavone that is isoflavone substituted at positions 4' and 7 by hydroxy and methoxy groups respectively. It has a role as a metabolite, a bone density conservation agent and an apoptosis inhibitor. It is a hydroxyisoflavone and a member of 7-methoxyisoflavones. It derives from a daidzein.

SMILES: COc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1

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

InChI: InChI=1S/C16H12O4/c1-19-12-6-7-13-15(8-12)20-9-14(16(13)18)10-2-4-11(17)5-3-10/h2-9,17H,1H3

Molecular Properties:
- Polar Surface Area: 55.8 Ų
- LogP: 2.8