isatinone A (CHEBI:66087)

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ChEBI Name	isatinone A

ChEBI ID	CHEBI:66087

Definition	An indole alkaloid that is 1,3-dihydro-2H-indol-2-one substituted by a methoxy(phenyl)methylidene group at position 3 (the 3E stereoisomer). Isolated from Isatis costata, it exhibits antifungal activity.

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

Supplier Information

Download	Molfile XML SDF

Formula

C16H13NO2

Net Charge

Average Mass

251.27990

Monoisotopic Mass

251.09463

InChI

InChI=1S/C16H13NO2/c1-19-15(11-7-3-2-4-8-11)14-12-9-5-6-10-13(12)17-16(14)18/h2-10H,1H3,(H,17,18)/b15-14+

InChIKey

VRJYLVZCUCQVBL-CCEZHUSRSA-N

SMILES

CO\C(c1ccccc1)=C1\C(=O)Nc2ccccc12

Metabolite of Species	Details
Isatis costata (IPNI:285765-1)	Found in whole plant (BTO:0001461). See: PubMed

Roles Classification
Biological Role(s):	antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. (via alkaloid )

ChEBI Ontology
Outgoing	isatinone A (CHEBI:66087) has role antifungal agent (CHEBI:35718) isatinone A (CHEBI:66087) has role metabolite (CHEBI:25212) isatinone A (CHEBI:66087) is a enol ether (CHEBI:47985) isatinone A (CHEBI:66087) is a indole alkaloid (CHEBI:38958) isatinone A (CHEBI:66087) is a indolones (CHEBI:24829)

IUPAC Name

(3E)-3-[methoxy(phenyl)methylidene]-1,3-dihydro-2H-indol-2-one

Registry Number	Type	Source
10674292	Reaxys Registry Number	Reaxys

Citation	Type	Source
17846565	PubMed citation	Europe PMC

Last Modified

28 February 2013