Molecule ID: 162464

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

Description: The molecule is a trimethoxyflavone that is flavone substituted by methoxy groups at positions 6, 7 and 3' and hydroxy groups at positions 5 and 4' respectively. It has a role as a plant metabolite and an antineoplastic agent. It is a trimethoxyflavone and a dihydroxyflavone. It derives from a flavone.

SMILES: COc1cc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)ccc1O

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

InChI: InChI=1S/C18H16O7/c1-22-13-6-9(4-5-10(13)19)12-7-11(20)16-14(25-12)8-15(23-2)18(24-3)17(16)21/h4-8,19,21H,1-3H3

Molecular Properties:
- Polar Surface Area: 94.4 Ų
- LogP: 2.9