Molecule ID: 10207

IUPAC Name: 1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione

Description: The molecule is a dihydroxyanthraquinone that is chrysazin carrying a hydroxymethyl group at position 3. It has been isolated from plant species of the genus Aloe. It has a role as an antineoplastic agent and a plant metabolite. It is a dihydroxyanthraquinone and an aromatic primary alcohol. It derives from a chrysazin.

SMILES: O=C1c2cccc(O)c2C(=O)c2c(O)cc(CO)cc21

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

InChI: InChI=1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2

Molecular Properties:
- Polar Surface Area: 94.8 Ų
- LogP: 1.8