Molecule ID: 5487785

IUPAC Name: 5-hydroxy-3-(4-hydroxyphenyl)-6,7-dimethoxychromen-4-one

Description: The molecule is a methoxyisoflavone that is tectorigenin in which the hydroxy group at position 7 has been replaced by a methoxy group.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 hydroxyisoflavone and a member of 7-methoxyisoflavones. It derives from a tectorigenin.

SMILES: COc1cc2occ(-c3ccc(O)cc3)c(=O)c2c(O)c1OC

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

InChI: InChI=1S/C17H14O6/c1-21-13-7-12-14(16(20)17(13)22-2)15(19)11(8-23-12)9-3-5-10(18)6-4-9/h3-8,18,20H,1-2H3

Molecular Properties:
- Polar Surface Area: 85.2 Ų
- LogP: 3.0