Molecule ID: 70697831

IUPAC Name: 6-hydroxy-5,8,10,11-tetramethoxy-3,3-dimethylpyrano[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 a hydroxy group at position 6, methoxy groups at positions 5, 8, 10 and 11 and geminal methyl groups at position 3. Isolated from Garcinia rigida, it exhibits cytotoxic activity. It has a role as a metabolite and an antineoplastic agent. It is an aromatic ether, a member of pyranoxanthones and a member of phenols.

SMILES: COc1cc(OC)c2c(=O)c3c(O)c(OC)c4c(c3oc2c1OC)C=CC(C)(C)O4

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

InChI: InChI=1S/C22H22O8/c1-22(2)8-7-10-17-14(16(24)21(28-6)18(10)30-22)15(23)13-11(25-3)9-12(26-4)19(27-5)20(13)29-17/h7-9,24H,1-6H3

Molecular Properties:
- Polar Surface Area: 92.7 Ų
- LogP: 4.0