Molecule ID: 11267045

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

Description: The molecule is the 3'-O-methyl ether of tricetin. It has a role as an antioxidant and a metabolite. It is a monomethoxyflavone, a tetrahydroxyflavone and a member of 3'-methoxyflavones. It derives from a tricetin. It is a conjugate acid of a 3'-O-methyltricetin(1-).

SMILES: COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(O)c1O

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

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

Molecular Properties:
- Polar Surface Area: 116.0 Ų
- LogP: 1.4