Molecule ID: 3146261

IUPAC Name: methyl 9,10-dioxoanthracene-2-carboxylate

Description: The molecule is an anthraquinone that is 9,10-anthraquinone substituted by a methoxycarbonyl 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 anthraquinone, an aromatic ester and a methyl ester.

SMILES: COC(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O

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

InChI: InChI=1S/C16H10O4/c1-20-16(19)9-6-7-12-13(8-9)15(18)11-5-3-2-4-10(11)14(12)17/h2-8H,1H3

Molecular Properties:
- Polar Surface Area: 60.4 Ų
- LogP: 3.4