Chemical Component Summary

NameINDOLYLPROPIONIC ACID
Identifiers3-(1H-indol-3-yl)propanoic acid
FormulaC11 H11 N O2
Molecular Weight189.211
TypeNON-POLYMER
Isomeric SMILESc1ccc2c(c1)c(c[nH]2)CCC(=O)O
InChIInChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14)
InChIKeyGOLXRNDWAUTYKT-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count25
Chiral Atom Count0
Bond Count26
Aromatic Bond Count10

Drug Info: DrugBank

DrugBank IDDB02758 
NameIndolepropionic acid
Groups experimental
Synonyms
  • 3-(Indol-3-yl)propionic acid
  • beta-Indolylpropionate
  • 3-(3-Indolyl)propionic acid
  • 3-(3-Indole)propionic acid
  • Indolepropionic acid
Categories
  • Acids, Acyclic
  • Fatty Acids
  • Fatty Acids, Volatile
  • Heterocyclic Compounds, Fused-Ring
  • Lipids
CAS number830-96-6

Drug Targets

NameTarget SequencePharmacological ActionActions
Group IIE secretory phospholipase A2MKSPHVLVFLCLLVALVTGNLVQFGVMIEKMTGKSALQYNDYGCYCGIGG...unknown
Aspartate aminotransferaseMFENITAAPADPILGLADLFRADERPGKINLGIGVYKDETGKTPVLTSVK...unknown
Aromatic-amino-acid aminotransferaseMLGNLKPQAPDKILALMGEFRADPRQGKIDLGVGVYKDATGHTPIMRAVH...unknown
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
PubChem 3744
ChEMBL CHEMBL207225
ChEBI CHEBI:43580
CCDC/CSD NOKWUF, INDPRA01, INDPRA02, OVANIK