Molecule ID: 5281699

IUPAC Name: 3,5,7-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one

Description: The molecule is a monomethoxyflavone that is quercetin methylated at position O-4'. Isolated from Cyperus teneriffae. It has a role as a metabolite and an antioxidant. It is a 7-hydroxyflavonol, a monomethoxyflavone and a tetrahydroxyflavone. It derives from a quercetin.

SMILES: COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1O

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

InChI: InChI=1S/C16H12O7/c1-22-11-3-2-7(4-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3

Molecular Properties:
- Polar Surface Area: 116.0 Ų
- LogP: 1.9