Molecule ID: 5281801

IUPAC Name: 3-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one

Description: The molecule is a member of the class of 7-hydroxyisoflavones which consists of isoflavone substituted by hydroxy groups at positions 5, 7, 3' and 4'. It has been isolated from the mycelia of Cordyceps sinensis. It has a role as an anti-inflammatory agent, a radical scavenger, a plant metabolite and a fungal metabolite. It derives from an isoflavone.

SMILES: O=c1c(-c2ccc(O)c(O)c2)coc2cc(O)cc(O)c12

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

InChI: InChI=1S/C15H10O6/c16-8-4-12(19)14-13(5-8)21-6-9(15(14)20)7-1-2-10(17)11(18)3-7/h1-6,16-19H

Molecular Properties:
- Polar Surface Area: 107.0 Ų
- LogP: 2.3