Molecule ID: 16736863

IUPAC Name: 4,4,5,10-tetraoxo-1H-pyrido[3,2-g][1,4]benzothiazine-7-carboxylic acid

Description: The molecule is an organic heterotricyclic compound, that is 5,10-dioxo-5,10-dihydro-1H-[1,4]thiazino[3,2-g]quinoline 4,4-dioxide substituted at position 7 by a carboxy group. It is an anti-inflmmatory alkaloid obtained from Aplidium. It has a role as a metabolite and an anti-inflammatory agent. It is a sulfone, an organic heterotricyclic compound, a monocarboxylic acid, an alkaloid and a member of p-quinones.

SMILES: O=C(O)c1ccc2c(n1)C(=O)C1=C(NC=CS1(=O)=O)C2=O

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

InChI: InChI=1S/C12H6N2O6S/c15-9-5-1-2-6(12(17)18)14-7(5)10(16)11-8(9)13-3-4-21(11,19)20/h1-4,13H,(H,17,18)

Molecular Properties:
- Polar Surface Area: 139.0 Ų
- LogP: 0.0