Molecule ID: 442771

IUPAC Name: 5,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one

Description: The molecule is a hydroxyisoflavanone that is isoflavanone substituted by hydroxy groups at positions 5, 7 and 2' and a methoxy group at position 4' respectively. It has a role as a plant metabolite. It is a hydroxyisoflavanone and a methoxyisoflavanone. It derives from an isoflavanone.

SMILES: COc1ccc(C2COc3cc(O)cc(O)c3C2=O)c(O)c1

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

InChI: InChI=1S/C16H14O6/c1-21-9-2-3-10(12(18)6-9)11-7-22-14-5-8(17)4-13(19)15(14)16(11)20/h2-6,11,17-19H,7H2,1H3

Molecular Properties:
- Polar Surface Area: 96.2 Ų
- LogP: 2.5