Molecule ID: 5282074

IUPAC Name: 3-(2,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one

Description: The molecule is a hydroxyisoflavone that is genistein substituted by an additional hydroxy group at position 2'. It has been isolated from Crotalaria lachnophora. It has a role as a plant metabolite. It derives from a genistein. It is a conjugate acid of a 2'-hydroxygenistein(1-).

SMILES: O=c1c(-c2ccc(O)cc2O)coc2cc(O)cc(O)c12

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

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

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