Chemical Component Summary

NameISATIN
Identifiers1H-indole-2,3-dione
FormulaC8 H5 N O2
Molecular Weight147.131
TypeNON-POLYMER
Isomeric SMILESc1ccc2c(c1)C(=O)C(=O)N2
InChIInChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)
InChIKeyJXDYKVIHCLTXOP-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count16
Chiral Atom Count0
Bond Count17
Aromatic Bond Count6

Drug Info: DrugBank

DrugBank IDDB02095 
NameIsatin
Groups experimental
DescriptionIsatin is an indole derivative first obtained by Erdman and Laurent in 1841 as an oxidation product of Indigo dye with nitric acid and chromic acids. The compound is found in many plants and Schiff bases of Isatin are have been investigated for pharmaceutical applications.
Synonyms
  • 1H-indole-2,3-dione
  • Isatin
Categories
  • Heterocyclic Compounds, Fused-Ring
  • Indoles
CAS number91-56-5

Drug Targets

NameTarget SequencePharmacological ActionActions
Amine oxidase [flavin-containing] BMSNKCDVVVVGGGISGMAAAKLLHDSGLNVVVLEARDRVGGRTYTLRNQK...unknown
Amine oxidase [flavin-containing] BMSNKCDVVVVGGGISGMAAAKLLHDSGLNVVVLEARDRVGGRTYTLRNQK...unknowninhibitor
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL326294
PubChem 7054
ChEMBL CHEMBL326294
ChEBI CHEBI:27539
CCDC/CSD ISATIN03, ISATIN01, ISATIN05, ISATIN04, ISATIN02