Molecule ID: 70680260

IUPAC Name: 3,4,8-trihydroxy-2-methoxy-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, 4 and 8, a methoxy group at position 2 and a prenyl group at position 1. Isolated from Cratoxylum celebicum and the roots of Cratoxylum cochinchinense, it exhibits cytotoxic and antimalarial activities. It has a role as a metabolite, an antineoplastic agent and an antimalarial. It is a member of xanthones, a polyphenol and an aromatic ether.

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

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

InChI: InChI=1S/C19H18O6/c1-9(2)7-8-10-13-15(21)14-11(20)5-4-6-12(14)25-19(13)17(23)16(22)18(10)24-3/h4-7,20,22-23H,8H2,1-3H3

Molecular Properties:
- Polar Surface Area: 96.2 Ų
- LogP: 4.3