Molecule ID: 11537710

IUPAC Name: 3,8-dihydroxy-2,4-dimethoxy-1-(3-methylbut-2-enyl)xanthen-9-one

Description: The molecule is a member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 3 and 8, methoxy groups at position 2 and 4 and a prenyl group at position 1. A methyl ether derivative of celebixanthone, it is isolated from the roots of Cratoxylum cochinchinense and exhibits antimalarial activities. It has a role as a metabolite and an antimalarial. It is an aromatic ether, a polyphenol and a member of xanthones. It derives from a celebixanthone.

SMILES: COc1c(O)c(OC)c2oc3cccc(O)c3c(=O)c2c1CC=C(C)C

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

InChI: InChI=1S/C20H20O6/c1-10(2)8-9-11-14-16(22)15-12(21)6-5-7-13(15)26-19(14)20(25-4)17(23)18(11)24-3/h5-8,21,23H,9H2,1-4H3

Molecular Properties:
- Polar Surface Area: 85.2 Ų
- LogP: 4.7