Molecule ID: 5379096

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

Description: The molecule is a trihydroxyflavone that is flavone with hydroxy groups at positions 5, 7 and 4' and methoxy groups at positions 3' and 6. Isolated from Salvia tomentosa and Artemisia asiatica, it exhibits anti-allergic, anti-inflammatory and apoptosis inducing activties. It has a role as a metabolite, an anti-inflammatory agent, an apoptosis inducer, an anti-allergic agent and an antineoplastic agent. It is a trihydroxyflavone and a dimethoxyflavone.

SMILES: COc1cc(-c2cc(=O)c3c(O)c(OC)c(O)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][C][O][C][=C][Ring1][#Branch2][O][Ring1][#C][=C][C][=C][Ring2][Ring1][Branch1][O]

InChI: InChI=1S/C17H14O7/c1-22-13-5-8(3-4-9(13)18)12-6-10(19)15-14(24-12)7-11(20)17(23-2)16(15)21/h3-7,18,20-21H,1-2H3

Molecular Properties:
- Polar Surface Area: 105.0 Ų
- LogP: 1.7