Molecule ID: 5284648

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

Description: The molecule is a 7-hydroxyisoflavone that is daidzein substituted by a hydroxy group at position 3'. It has a role as a metabolite, an antineoplastic agent and an EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor. It derives from a daidzein.

SMILES: O=c1c(-c2ccc(O)c(O)c2)coc2cc(O)ccc12

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][=C][Ring2][Ring1][Ring1][Ring1][#Branch1]

InChI: InChI=1S/C15H10O5/c16-9-2-3-10-14(6-9)20-7-11(15(10)19)8-1-4-12(17)13(18)5-8/h1-7,16-18H

Molecular Properties:
- Polar Surface Area: 87.0 Ų
- LogP: 2.1