Molecule ID: 5273755

IUPAC Name: 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one

Description: The molecule is a trimethoxyflavone that is flavone substituted by hydroxy groups at C-5 and C-7 and methoxy groups at C-6, C-3' and C-4' respectively. Isolated from Citrus reticulata and Salvia tomentosa, it exhibits anti-inflammatory, anti-ulcer and antineoplastic activities. It has a role as an anti-ulcer drug, an EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor, an antineoplastic agent, an anti-inflammatory agent and a metabolite. It is a trimethoxyflavone and a dihydroxyflavone.

SMILES: COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)cc1OC

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

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

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