Molecule ID: 5380905

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

Description: The molecule is a dimethoxyflavone that is the 3,4'-dimethyl ether derivative of quercetin. Isolated from Combretum quadrangulare, it exhibits antineoplastic activity. It has a role as a metabolite and an antineoplastic agent. It is a trihydroxyflavone and a dimethoxyflavone. It derives from a quercetin.

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

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

Molecular Properties:
- Polar Surface Area: 105.0 Ų
- LogP: 2.8