Molecule ID: 5319422

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

Description: The molecule is a member of the class of 7-hydroxyisoflavones that is 7,4'-dihydroxyisoflavone substituted by a methoxy group at position 3'. It is isolated from the heart woods of Maackia amurensis subsp buergeri and Dalbergia louveli and exhibits antiplasmodial ativity. It has a role as a metabolite and an antiplasmodial drug. It is a methoxyisoflavone and a member of 7-hydroxyisoflavones.

SMILES: COc1cc(-c2coc3cc(O)ccc3c2=O)ccc1O

SELFIES: [C][O][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][C][=C][Ring2][Ring1][C][O]

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

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