Molecule ID: 158311

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

Description: The molecule is a trihydroxyflavone that is flavone substituted by hydroxy groups at positions 2', 4' and 5 and methoxy groups at positions 5', 6 and 7 respectively. It has a role as a plant metabolite, an EC 3.2.1.20 (alpha-glucosidase) inhibitor and an EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor. It is a trimethoxyflavone and a trihydroxyflavone. It derives from a flavone.

SMILES: COc1cc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)c(O)cc1O

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][Branch1][C][O][C][=C][Ring2][Ring1][#Branch1][O]

InChI: InChI=1S/C18H16O8/c1-23-13-4-8(9(19)5-10(13)20)12-6-11(21)16-14(26-12)7-15(24-2)18(25-3)17(16)22/h4-7,19-20,22H,1-3H3

Molecular Properties:
- Polar Surface Area: 115.0 Ų
- LogP: 2.6