Molecule ID: 439784

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

Description: The molecule is a hydroxyisoflavanone that is the 2,3-dihydro derivative of biochanin A. It has a role as an antifungal agent and a metabolite. It is a hydroxyisoflavanone and a methoxyisoflavanone. It derives from a biochanin A. It is a conjugate acid of a 2,3-dihydrobiochanin A(1-).

SMILES: COc1ccc(C2COc3cc(O)cc(O)c3C2=O)cc1

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][=C][Ring2][Ring1][Ring1]

InChI: InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-7,12,17-18H,8H2,1H3

Molecular Properties:
- Polar Surface Area: 76.0 Ų
- LogP: 2.9