Chemical Component Summary

NameHYDROCINNAMIC ACID
Synonyms3PP; 3-PHENYLPROPIONIC ACID
Identifiers3-phenylpropanoic acid
FormulaC9 H10 O2
Molecular Weight150.174
TypeNON-POLYMER
Isomeric SMILESc1ccc(cc1)CCC(=O)O
InChIInChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
InChIKeyXMIIGOLPHOKFCH-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count21
Chiral Atom Count0
Bond Count21
Aromatic Bond Count6

Drug Info: DrugBank

DrugBank IDDB02024 
Name3-phenylpropionic acid
Groups experimental
Synonyms
  • 3-Phenylpropionsäure
  • 3-phenyl-propionic acid
  • 3-phenylpropanoic acid
  • Phenylpropanoate
  • 3-phenylpropionic acid
CategoriesAcids, Carbocyclic
CAS number501-52-0

Drug Targets

NameTarget SequencePharmacological ActionActions
Aspartate aminotransferaseMFENITAAPADPILGLADLFRADERPGKINLGIGVYKDETGKTPVLTSVK...unknown
Aromatic-amino-acid aminotransferaseMLGNLKPQAPDKILALMGEFRADPRQGKIDLGVGVYKDATGHTPIMRAVH...unknown
AminotransferaseMRLHPRTEAAKESIFPRMSGLAQRLGAVNLGQGFPSNPPPPFLLEAVRRA...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 107
ChEMBL CHEMBL851
ChEBI CHEBI:28631
CCDC/CSD LATBEP, HIVCOG, HIVDAT, HIVCIA, HIVCEW, YASFIJ01, HIVCUM, YASFIJ, YASFIJ02