Molecule ID: 5352001

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

Description: The molecule is a dimethoxyflavone that is kaempferol in which the hydroxy groups at position 3 and 4' have been replaced by methoxy groups. It is a component of bee glue and isolated from several plant species including Tanacetum microphyllum. It has a role as an anti-inflammatory agent, an antimycobacterial drug, an apoptosis inducer, an antineoplastic agent and a plant metabolite. It is a dihydroxyflavone and a dimethoxyflavone. It derives from a kaempferol.

SMILES: COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2OC)cc1

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]

InChI: InChI=1S/C17H14O6/c1-21-11-5-3-9(4-6-11)16-17(22-2)15(20)14-12(19)7-10(18)8-13(14)23-16/h3-8,18-19H,1-2H3

Molecular Properties:
- Polar Surface Area: 85.2 Ų
- LogP: 2.5