Molecule ID: 5464170

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

Description: The molecule is a hydroxyisoflavone that is isoflavone substituted by hydroxy groups at positions 5, 7 and 3' and methoxy groups at positions 6, 4' and 5' respectively. It has a role as a plant metabolite. It is a hydroxyisoflavone and a member of 4'-methoxyisoflavones. It derives from an isoflavone.

SMILES: COc1cc(-c2coc3cc(O)c(OC)c(O)c3c2=O)cc(O)c1OC

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

InChI: InChI=1S/C18H16O8/c1-23-13-5-8(4-10(19)17(13)24-2)9-7-26-12-6-11(20)18(25-3)16(22)14(12)15(9)21/h4-7,19-20,22H,1-3H3

Molecular Properties:
- Polar Surface Area: 115.0 Ų
- LogP: 2.6