Molecule ID: 16743994

IUPAC Name: 6,10,11-trihydroxy-3,3-dimethyl-5-(3-methylbut-2-enyl)pyrano[2,3-c]xanthen-7-one

Description: The molecule is a member of the class of pyranoxanthones that is 3H,7H-pyrano[2,3-c]xanthen-7-one substituted by hydroxy groups at positions 6, 10 and 11, geminal methyl groups at position 3 and a prenyl group at position 5. 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 member of pyranoxanthones and a polyphenol.

SMILES: CC(C)=CCc1c2c(c3oc4c(O)c(O)ccc4c(=O)c3c1O)C=CC(C)(C)O2

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

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

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