Molecule ID: 442759

IUPAC Name: 1,2,8-trihydroxy-3-methylanthracene-9,10-dione

Description: The molecule is a trihydroxyanthraquinone that is 9,10-anthraquinone which is substituted by a methyl substituent at C-3 and by hydroxy groups at C-1, C-2 and C-8. It derives from a chrysophanol.

SMILES: Cc1cc2c(c(O)c1O)C(=O)c1c(O)cccc1C2=O

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

InChI: InChI=1S/C15H10O5/c1-6-5-8-11(15(20)12(6)17)14(19)10-7(13(8)18)3-2-4-9(10)16/h2-5,16-17,20H,1H3

Molecular Properties:
- Polar Surface Area: 94.8 Ų
- LogP: 2.7