Molecule ID: 70697886

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

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

SMILES: Cc1c(O)c(C)c2occ(-c3ccccc3O)c(=O)c2c1O

SELFIES: [C][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/C17H14O5/c1-8-14(19)9(2)17-13(15(8)20)16(21)11(7-22-17)10-5-3-4-6-12(10)18/h3-7,18-20H,1-2H3

Molecular Properties:
- Polar Surface Area: 87.0 Ų
- LogP: 3.4