Molecule ID: 10639

IUPAC Name: 1,8-dihydroxy-3-methoxy-6-methylanthracene-9,10-dione

Description: The molecule is a dihydroxyanthraquinone that is 9,10-anthraquinone bearing hydroxy substituents at positions 1 and 8, a methoxy group at position 3, and a methyl group at position 6. It has been widely isolated and characterised from both terrestrial and marine sources. It has a role as an apoptosis inducer, an antineoplastic agent, a hepatoprotective agent, an anti-inflammatory agent, an antibacterial agent, an antifungal agent and a metabolite. It derives from a 2-methylanthraquinone.

SMILES: COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O

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

InChI: InChI=1S/C16H12O5/c1-7-3-9-13(11(17)4-7)16(20)14-10(15(9)19)5-8(21-2)6-12(14)18/h3-6,17-18H,1-2H3

Molecular Properties:
- Polar Surface Area: 83.8 Ų
- LogP: 3.0