Molecule ID: 442662

IUPAC Name: 5,6-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7,8-dimethoxychromen-4-one

Description: The molecule is a trimethoxyflavone that is flavone substituted by methoxy groups at positions 7, 8 and 3' and hydroxy groups at positions 5, 6 and 4'. It has a role as a plant metabolite. It is a trimethoxyflavone and a trihydroxyflavone. It derives from a flavone.

SMILES: COc1cc(-c2cc(=O)c3c(O)c(O)c(OC)c(OC)c3o2)ccc1O

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

InChI: InChI=1S/C18H16O8/c1-23-12-6-8(4-5-9(12)19)11-7-10(20)13-14(21)15(22)17(24-2)18(25-3)16(13)26-11/h4-7,19,21-22H,1-3H3

Molecular Properties:
- Polar Surface Area: 115.0 Ų
- LogP: 2.6