ascidiathiazone A (CHEBI:65448)

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ChEBI Name	ascidiathiazone A

ChEBI ID	CHEBI:65448

Definition	An organic heterotricyclic compound, that is 3,4-dihydro-2H-[1,4]thiazino[2,3-g]quinoline-5,10 dione S,S-dioxide substituted at position 7 by a carboxyl group. It is an anti-inflmmatory alkaloid obtained from Aplidium.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C12H8N2O6S

Net Charge

Average Mass

308.26700

Monoisotopic Mass

308.01031

InChI

InChI=1S/C12H8N2O6S/c15-9-5-1-2-6(12(17)18)14-7(5)10(16)8-11(9)21(19,20)4-3-13-8/h1-2,13H,3-4H2,(H,17,18)

InChIKey

HNRNJVWZIQOLOL-UHFFFAOYSA-N

SMILES

OC(=O)c1ccc2C(=O)C3=C(NCCS3(=O)=O)C(=O)c2n1

Metabolite of Species	Details
Aplidium (NCBI:txid201956)	See: PubMed

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. (via alkaloid )

Application(s):	anti-inflammatory agent Any compound that has anti-inflammatory effects.

ChEBI Ontology
Outgoing	ascidiathiazone A (CHEBI:65448) has role anti-inflammatory agent (CHEBI:67079) ascidiathiazone A (CHEBI:65448) has role metabolite (CHEBI:25212) ascidiathiazone A (CHEBI:65448) is a p-quinones (CHEBI:25830) ascidiathiazone A (CHEBI:65448) is a alkaloid (CHEBI:22315) ascidiathiazone A (CHEBI:65448) is a monocarboxylic acid (CHEBI:25384) ascidiathiazone A (CHEBI:65448) is a organic heterotricyclic compound (CHEBI:26979) ascidiathiazone A (CHEBI:65448) is a sulfone (CHEBI:35850)

IUPAC Name

5,10-dioxo-3,4,5,10-tetrahydro-2H-[1,4]thiazino[2,3-g]quinoline-7-carboxylic acid 1,1-dioxide

Synonym	Source
2H-pyrido[2,3-g][1,4]benzothiazine-5,10-dione, 3,4-dihydro-1,1-dioxo-7-carboxylic acid	ChEBI

Registry Number	Type	Source
11195368	Reaxys Registry Number	Reaxys

Citation	Type	Source
17497807	PubMed citation	Europe PMC

Last Modified

04 June 2016