Molecule ID: 15385486

IUPAC Name: 7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-2,3-dihydrochromen-4-one

Description: The molecule is a dihydroxyflavanone having the two hydroxy groups located at the C-4' and -7 positions and two additional methoxy substituent at the C-3' and 8-positions. It has a role as a metabolite. It is a dihydroxyflavanone, a dimethoxyflavanone, a member of 4'-hydroxyflavanones and a member of 3'-methoxyflavanones.

SMILES: COc1cc(C2CC(=O)c3ccc(O)c(OC)c3O2)ccc1O

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

InChI: InChI=1S/C17H16O6/c1-21-15-7-9(3-5-11(15)18)14-8-13(20)10-4-6-12(19)17(22-2)16(10)23-14/h3-7,14,18-19H,8H2,1-2H3

Molecular Properties:
- Polar Surface Area: 85.2 Ų
- LogP: 2.1