Molecule ID: 5281618

IUPAC Name: 7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one

Description: The molecule is a dihydroxyflavone that is the 5-deoxy-derivative of 4',5,7-trihydroxy-3'-methoxyflavone (chrysoeriol). It has a role as a plant metabolite. It is a dihydroxyflavone and a monomethoxyflavone. It derives from a 4',5,7-trihydroxy-3'-methoxyflavone.

SMILES: COc1cc(-c2cc(=O)c3ccc(O)cc3o2)ccc1O

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

InChI: InChI=1S/C16H12O5/c1-20-16-6-9(2-5-12(16)18)14-8-13(19)11-4-3-10(17)7-15(11)21-14/h2-8,17-18H,1H3

Molecular Properties:
- Polar Surface Area: 76.0 Ų
- LogP: 3.2