Molecule ID: 54669843

IUPAC Name: 2-(3-hydroxy-4-methoxyphenyl)-3,7,8-trimethoxychromen-4-one

Description: The molecule is a tetramethoxyflavone that is flavone substituted by methoxy groups at positions 3, 7, 8 and 4' and a hydroxy group at position 3'. Isolated from the aerial parts of Mimosa diplotricha, it exhibits antiproliferative activity. It has a role as an antineoplastic agent and a plant metabolite. It is a monohydroxyflavone and a tetramethoxyflavone. It derives from a flavone.

SMILES: COc1ccc(-c2oc3c(OC)c(OC)ccc3c(=O)c2OC)cc1O

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

InChI: InChI=1S/C19H18O7/c1-22-13-7-5-10(9-12(13)20)16-19(25-4)15(21)11-6-8-14(23-2)18(24-3)17(11)26-16/h5-9,20H,1-4H3

Molecular Properties:
- Polar Surface Area: 83.4 Ų
- LogP: 2.9