Molecule ID: 5282075

IUPAC Name: 5,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)chromen-4-one

Description: The molecule is a methoxyisoflavone in which the methoxy group is located at position 4' together with three additional hydroxy substituents at positions 2' 5 and 7. It has a role as a plant metabolite and an apoptosis inducer. It is a methoxyisoflavone, a member of 7-hydroxyisoflavones, a member of 2'-hydroxyisoflavones and a member of 4'-methoxyisoflavones.

SMILES: COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)c(O)c1

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

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

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