Molecule ID: 5281626

IUPAC Name: 1,3,5,8-tetrahydroxyxanthen-9-one

Description: The molecule is a member of the class of xanthones that is xanthone which is substituted by hydroxy groups at positions 1, 3, 5, and 8. A natural product found particularly in Iris nigricans and Gentiana campestris. It has a role as a metabolite, an EC 3.1.1.7 (acetylcholinesterase) inhibitor, a mutagen, an antioxidant and a radical scavenger. It is a member of xanthones and a tetrol. It derives from a xanthone.

SMILES: O=c1c2c(O)cc(O)cc2oc2c(O)ccc(O)c12

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

InChI: InChI=1S/C13H8O6/c14-5-3-8(17)10-9(4-5)19-13-7(16)2-1-6(15)11(13)12(10)18/h1-4,14-17H

Molecular Properties:
- Polar Surface Area: 107.0 Ų
- LogP: 2.1