Molecule ID: 6683

IUPAC Name: 1,2,4-trihydroxyanthracene-9,10-dione

Description: The molecule is a trihydroxyanthraquinone derived from anthracene by substitution with oxo groups at C-9 and C-10 and with hydroxy groups at C-1, C-2 and C-4. It has a role as a biological pigment, a histological dye and a plant metabolite.

SMILES: O=C1c2ccccc2C(=O)c2c(O)c(O)cc(O)c21

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

InChI: InChI=1S/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19H

Molecular Properties:
- Polar Surface Area: 94.8 Ų
- LogP: 2.9