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CHEBI:66087 - isatinone A

ChEBI IDCHEBI:66087
ChEBI Nameisatinone A
Stars
DefinitionAn 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.
Last Modified28 February 2013
DownloadsMolfile
FormulaC16H13NO2
Net Charge0
Average Mass251.285
Monoisotopic Mass251.09463
SMILESCO/C(=C1/C(=O)Nc2ccccc21)c1ccccc1
InChIInChI=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+
InChIKeyVRJYLVZCUCQVBL-CCEZHUSRSA-N
Species of MetaboliteComponentSourceComments
Isatis costata (IPNI:285765-1) whole plant (BTO:0001461) PubMed (17846565)
Roles Classification
Biological Roles:
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.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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 NumbersSources
Reaxys:10674292Reaxys
Citations