Molecule ID: 5319744

IUPAC Name: 5,7-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)chromen-4-one

Description: The molecule is a hydroxyisoflavone that is orobol in which the hydroxy group at position 3' has been replaced by a methoxy group. It has been isolated from Crotalaria lachnophora. It has a role as a plant metabolite. It is a methoxyisoflavone and a hydroxyisoflavone. It derives from an orobol.

SMILES: COc1cc(-c2coc3cc(O)cc(O)c3c2=O)ccc1O

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

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

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