Molecule ID: 442668

IUPAC Name: 7-(2-hydroxyphenyl)-9-methoxy-[1,3]dioxolo[4,5-g]chromen-8-one

Description: The molecule is a hydroxyisoflavone that is isoflavone substituted by a hydroxy group at position 2', a methoxy group at position 5 and a methylenedioxy group across positions 6 and 7 respectively. It has a role as a plant metabolite. It is a hydroxyisoflavone and a methoxyisoflavone. It derives from an isoflavone.

SMILES: COc1c2c(cc3occ(-c4ccccc4O)c(=O)c13)OCO2

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

InChI: InChI=1S/C17H12O6/c1-20-17-14-12(6-13-16(17)23-8-22-13)21-7-10(15(14)19)9-4-2-3-5-11(9)18/h2-7,18H,8H2,1H3

Molecular Properties:
- Polar Surface Area: 74.2 Ų
- LogP: 2.6