Molecule ID: 5280862

IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one

Description: The molecule is a trihydroxyflavone that is apigenin substituted by a methoxy group at position 3. It has a role as a plant metabolite. It is a trihydroxyflavone and a monomethoxyflavone. It derives from an apigenin.

SMILES: COc1c(-c2ccc(O)cc2)oc2cc(O)cc(O)c2c1=O

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

InChI: InChI=1S/C16H12O6/c1-21-16-14(20)13-11(19)6-10(18)7-12(13)22-15(16)8-2-4-9(17)5-3-8/h2-7,17-19H,1H3

Molecular Properties:
- Polar Surface Area: 96.2 Ų
- LogP: 2.2