Molecule ID: 3084060

IUPAC Name: 1,2,5,6,8-pentahydroxy-3-(hydroxymethyl)anthracene-9,10-dione

Description: The molecule is an anthraquinone pigment obtained from the mould Aspergillus nidulans. It has a role as a metabolite and a biological pigment.

SMILES: O=C1c2c(cc(CO)c(O)c2O)C(=O)c2c(O)c(O)cc(O)c21

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

InChI: InChI=1S/C15H10O8/c16-3-4-1-5-8(15(23)11(4)19)14(22)9-6(17)2-7(18)13(21)10(9)12(5)20/h1-2,16-19,21,23H,3H2

Molecular Properties:
- Polar Surface Area: 156.0 Ų
- LogP: 1.9