Molecule ID: 16743993

IUPAC Name: 5,8,9-trihydroxy-2,2-dimethyl-12-(3-methylbut-2-enyl)pyrano[3,2-b]xanthen-6-one

Description: The molecule is a member of the class of pyranoxanthones that is 2H,6H-pyrano[3,2-b]xanthen-6-one substituted by hydroxy groups at positions 5, 8 and 9, geminal methyl groups at position 2 and a prenyl group at position 12. Isolated from Garcinia lancilimba, it exhibits inhibitory effects on human cancer cell line. It has a role as a metabolite and an antineoplastic agent. It is a polyphenol and a member of pyranoxanthones.

SMILES: CC(C)=CCc1c2c(c(O)c3c(=O)c4cc(O)c(O)cc4oc13)C=CC(C)(C)O2

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

InChI: InChI=1S/C23H22O6/c1-11(2)5-6-13-21-12(7-8-23(3,4)29-21)19(26)18-20(27)14-9-15(24)16(25)10-17(14)28-22(13)18/h5,7-10,24-26H,6H2,1-4H3

Molecular Properties:
- Polar Surface Area: 96.2 Ų
- LogP: 5.3