Molecule ID: 5315773

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

Description: The molecule is a trihydroxyflavone that consists of quercetagetin in which the hydroxy groups at positions 3, 6 and 4' have been replaced by methoxy groups. It has been isolated from Eremophila mitchellii and Athroisma proteiforme. It has a role as a cyclooxygenase 1 inhibitor, a cyclooxygenase 2 inhibitor, an antineoplastic agent and a plant metabolite. It is a trihydroxyflavone and a trimethoxyflavone.

SMILES: COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1O

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

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

Molecular Properties:
- Polar Surface Area: 115.0 Ų
- LogP: 2.8