Molecule ID: 44258704

IUPAC Name: 2-(3,4-dihydroxyphenyl)-7-hydroxy-3,8-dimethoxychromen-4-one

Description: The molecule is a trihydroxyflavone that is flavone substituted by hydroxy groups at positions 7, 3' and 4' and methoxy groups at positions 3 and 8. Isolated from Mimosa diplotricha, it exhibits cytotoxic activity against human cancer cell lines. It has a role as a metabolite and an antineoplastic agent. It is a trihydroxyflavone, a dimethoxyflavone and a member of catechols. It derives from a flavone.

SMILES: COc1c(-c2ccc(O)c(O)c2)oc2c(OC)c(O)ccc2c1=O

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

InChI: InChI=1S/C17H14O7/c1-22-16-11(19)6-4-9-13(21)17(23-2)14(24-15(9)16)8-3-5-10(18)12(20)7-8/h3-7,18-20H,1-2H3

Molecular Properties:
- Polar Surface Area: 105.0 Ų
- LogP: 2.3