Molecule ID: 5281666

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

Description: The molecule is a monomethoxyflavone that is the 4'-O-methyl derivative of kaempferol. It has a role as an antihypertensive agent and a metabolite. It is a trihydroxyflavone, a monomethoxyflavone and a 7-hydroxyflavonol. It derives from a kaempferol. It is a conjugate acid of a kaempferide(1-).

SMILES: COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1

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]

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

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