Molecule ID: 160717

IUPAC Name: 1,6-dihydroxy-8-methoxy-3-methylanthracene-9,10-dione

Description: The molecule is a dihydroxyanthraquinone that is 1,6-dihyroxy-9,10-anthraquinone which is substituted by a methyl group at position 3 and a methoxy group at position 8. It derives from an emodin. It is a conjugate acid of a questin-2-olate.

SMILES: COc1cc(O)cc2c1C(=O)c1c(O)cc(C)cc1C2=O

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

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

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