Molecule ID: 53354909

IUPAC Name: 5,7-dihydroxy-3-(2-hydroxyphenyl)-6-methoxy-8-methylchromen-4-one

Description: The molecule is a methoxyisoflavone that is isoflavone substituted by a methoxy group at position 6, a methyl group at position 8 and hydroxy groups at positions 5, 7 and 2'. It has been isolated from Pisonia aculeata. It has a role as a metabolite and a plant metabolite. It is a member of 2'-hydroxyisoflavones, a member of 7-hydroxyisoflavones and a methoxyisoflavone. It derives from an isoflavone.

SMILES: COc1c(O)c(C)c2occ(-c3ccccc3O)c(=O)c2c1O

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

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

Molecular Properties:
- Polar Surface Area: 96.2 Ų
- LogP: 3.0