deoxyviolacein (CHEBI:131915)

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ChEBI Name	deoxyviolacein

ChEBI ID	CHEBI:131915

Definition	A member of the class of oxindoles resulting from formal oxidative coupling between the 3-position of 1,3-dihydro-2H-indol-2-one and the 3-position of 1,3-dihydro-2H-pyrrol-2-one, which is substituted at the 5 position by a 1H-indol-3-yl group, where the newly-formed double bond has E configuration.

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

Submitter	Kristian Axelsen

Supplier Information	ZINC000104875513

Download	Molfile XML SDF

Formula

C20H13N3O2

Net Charge

Average Mass

327.343

Monoisotopic Mass

327.10078

InChI

InChI=1S/C20H13N3O2/c24-19-13(18-12-6-2-4-8-16(12)22-20(18)25)9-17(23-19)14-10-21-15-7-3-1-5-11(14)15/h1-10,21H,(H,22,25)(H,23,24)/b18-13+

InChIKey

OJUJNNKCVPCATE-QGOAFFKASA-N

SMILES

O=C1NC(=C\C1=C1/C(=O)NC2=CC=CC=C12)C1=CNC2=CC=CC=C12

Metabolite of Species	Details
Citrobacter freundii (NCBI:txid546)	See: PubMed
Escherichia coli (NCBI:txid562)	See: PubMed

Roles Classification
Biological Role(s):	bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.

ChEBI Ontology
Outgoing	deoxyviolacein (CHEBI:131915) has functional parent proviolacein (CHEBI:131916) deoxyviolacein (CHEBI:131915) has role antibacterial agent (CHEBI:33282) deoxyviolacein (CHEBI:131915) has role antifungal agent (CHEBI:35718) deoxyviolacein (CHEBI:131915) has role bacterial metabolite (CHEBI:76969) deoxyviolacein (CHEBI:131915) is a olefinic compound (CHEBI:78840) deoxyviolacein (CHEBI:131915) is a oxindoles (CHEBI:38459) deoxyviolacein (CHEBI:131915) is a pyrroles (CHEBI:26455)

IUPAC Name

(3E)-3-[5-(1H-indol-3-yl)-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]-1,3-dihydro-2H-indol-2-one

Synonym	Source
deoxyviolacein	UniProt

Registry Number	Type	Source
10779335	Reaxys Registry Number	Reaxys

Citations

Last Modified

03 August 2020