Molecule ID: 160483

IUPAC Name: 1,6,8-trihydroxy-3-methyl-9,10-dioxoanthracene-2-carboxylic acid

Description: The molecule is a trihydroxyanthraquinone that is 9,10-anthraquinone which is substituted by a carboxy group at position 2, a methyl group at position 3, and hydroxy groups at positions 1, 6, and 8. It has a role as a metabolite. It is a monocarboxylic acid, a member of phenols and a trihydroxyanthraquinone.

SMILES: Cc1cc2c(c(O)c1C(=O)O)C(=O)c1c(O)cc(O)cc1C2=O

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

InChI: InChI=1S/C16H10O7/c1-5-2-7-12(14(20)10(5)16(22)23)15(21)11-8(13(7)19)3-6(17)4-9(11)18/h2-4,17-18,20H,1H3,(H,22,23)

Molecular Properties:
- Polar Surface Area: 132.0 Ų
- LogP: 2.2