Molecule ID: 5281604

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

Description: The molecule is a monomethoxyflavone that is quercetin in which the hydroxy group at position 5 is replaced by a methoxy group. It has a role as a plant metabolite. It is a 7-hydroxyflavonol, a tetrahydroxyflavone and a monomethoxyflavone. It derives from a quercetin.

SMILES: COc1cc(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c12

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

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

Molecular Properties:
- Polar Surface Area: 116.0 Ų
- LogP: 1.3