Molecule ID: 5281623

IUPAC Name: 1,5,8-trihydroxy-3-methoxyxanthen-9-one

Description: The molecule is a member of the xanthone family that is bellidin substituted with a methyl group at O-3. A natural product found particularly in Swertia chirata and Gentianella campestris. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, a hypoglycemic agent and a metabolite. It is a member of xanthones and a polyphenol. It derives from a bellidin.

SMILES: COc1cc(O)c2c(=O)c3c(O)ccc(O)c3oc2c1

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

InChI: InChI=1S/C14H10O6/c1-19-6-4-9(17)11-10(5-6)20-14-8(16)3-2-7(15)12(14)13(11)18/h2-5,15-17H,1H3

Molecular Properties:
- Polar Surface Area: 96.2 Ų
- LogP: 2.4