Molecule ID: 5319801

IUPAC Name: 1,3,6-trihydroxy-2-methylanthracene-9,10-dione

Description: The molecule is a trihydroxyanthraquinone that is 9,10-anthraquinone substituted by hydroxy groups at positions 1, 3 and 6 and a methyl group at position 2. It has been isolated from the roots of Rubia yunnanensis. It has a role as a plant metabolite.

SMILES: Cc1c(O)cc2c(c1O)C(=O)c1ccc(O)cc1C2=O

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

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

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