Molecule ID: 135513034

IUPAC Name: 3,6,8-trihydroxy-1,1,7-tris(3-methylbut-2-enyl)xanthene-2,9-dione

Description: The molecule is a member of the class of xanthones that is 3,6,8-trihydroxy-1H-xanthene-2,9-dione substituted by geminal prenyl groups at position 1 and a single prenyl group at position 7. It is isolated from the stem barks of Allanblackia monticola and exhibits antiplasmodial activity. It also shows weak cytotoxicity against human melanoma cells. It has a role as a metabolite, an antiplasmodial drug and an antineoplastic agent. It is a member of xanthones and a polyphenol.

SMILES: CC(C)=CCc1c(O)cc2oc3c(c(=O)c2c1O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(O)=C3

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

InChI: InChI=1S/C28H32O6/c1-15(2)7-8-18-19(29)13-21-23(25(18)31)26(32)24-22(34-21)14-20(30)27(33)28(24,11-9-16(3)4)12-10-17(5)6/h7,9-10,13-14,29-31H,8,11-12H2,1-6H3

Molecular Properties:
- Polar Surface Area: 104.0 Ų
- LogP: 6.9