Molecule ID: 44259718

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

Description: The molecule is a tetrahydroxyflavone that is myricetin in which the hydroxy groups at positions 3 and 4' are replaced by methoxy groups. It has been isolated from Combretum quadrangulare. It has a role as a plant metabolite. It is a tetrahydroxyflavone and a dimethoxyflavone. It derives from a myricetin.

SMILES: COc1c(O)cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC)cc1O

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

InChI: InChI=1S/C17H14O8/c1-23-16-10(20)3-7(4-11(16)21)15-17(24-2)14(22)13-9(19)5-8(18)6-12(13)25-15/h3-6,18-21H,1-2H3

Molecular Properties:
- Polar Surface Area: 126.0 Ų
- LogP: 2.5