Molecule ID: 56600270

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

Description: The molecule is a member of the class of hydroxyanthraquinones that is 9,10-anthraquinone substituted by hydroxy groups at positions 1 and 3, a methyl group at position 2 and a methoxy group at position 6. It has been isolated from the roots of Rubia yunnanensis. It has a role as a metabolite and a plant metabolite. It is an aromatic ether and a dihydroxyanthraquinone.

SMILES: COc1ccc2c(c1)C(=O)c1cc(O)c(C)c(O)c1C2=O

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

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

Molecular Properties:
- Polar Surface Area: 83.8 Ų
- LogP: 3.0