Molecule ID: 44445519

IUPAC Name: 2-hydroxy-3-(hydroxymethyl)anthracene-9,10-dione

Description: The molecule is a monohydroxyanthraquinone that is 9,10-anthraquinone substituted by a hydroxy group at position 2 and a hydroxymethyl group at position 3. It has been isolated from the roots of Rubia yunnanensis. It has a role as an antineoplastic agent and a plant metabolite. It is a primary alcohol and a monohydroxyanthraquinone.

SMILES: O=C1c2ccccc2C(=O)c2cc(CO)c(O)cc21

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

InChI: InChI=1S/C15H10O4/c16-7-8-5-11-12(6-13(8)17)15(19)10-4-2-1-3-9(10)14(11)18/h1-6,16-17H,7H2

Molecular Properties:
- Polar Surface Area: 74.6 Ų
- LogP: 2.2