Molecule ID: 11044279

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

Description: The molecule is a member of the class of hydroxyanthraquinones that is anthracene-9,10-dione substituted by hydroxy groups at positions 3 and 6, a methoxy group at position 1 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. It is an aromatic ether and a dihydroxyanthraquinone.

SMILES: COc1c(C)c(O)cc2c1C(=O)c1ccc(O)cc1C2=O

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

InChI: InChI=1S/C16H12O5/c1-7-12(18)6-11-13(16(7)21-2)15(20)9-4-3-8(17)5-10(9)14(11)19/h3-6,17-18H,1-2H3

Molecular Properties:
- Polar Surface Area: 83.8 Ų
- LogP: 2.5