Chemical Component Summary

Name4'-HYDROXYCINNAMIC ACID
SynonymsPARA-COUMARIC ACID
Identifiers(E)-3-(4-hydroxyphenyl)prop-2-enoic acid
FormulaC9 H8 O3
Molecular Weight164.158
TypeNON-POLYMER
Isomeric SMILESc1cc(ccc1\C=C\C(=O)O)O
InChIInChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+
InChIKeyNGSWKAQJJWESNS-ZZXKWVIFSA-N

Chemical Details

Formal Charge0
Atom Count20
Chiral Atom Count0
Bond Count20
Aromatic Bond Count6

Drug Info: DrugBank

DrugBank IDDB04066 
Namep-Coumaric acid
Groups experimental
Synonyms
  • (2E)-3-(4-hydroxyphenyl)acrylic acid
  • 4'-hydroxycinnamic acid
  • naringeninic acid
  • 4-coumaric acid
  • (E)-p-hydroxycinnamic acid
Categories
  • Acids, Carbocyclic
  • Adrenal Cortex Hormones
  • Anti-Infective Agents
  • Antioxidants
  • Biological Factors
CAS number501-98-4

Drug Targets

NameTarget SequencePharmacological ActionActions
Prostaglandin reductase 1MVRTKTWTLKKHFVGYPTNSDFELKTAELPPLKNGEVLLEALFLTVDPYM...unknown
Histidine ammonia-lyaseMLAMSPPKPAVELDRHIDLDQAHAVASGGARIVLAPPARDRCRASEARLG...unknown
Photoactive yellow proteinMEHVAFGSEDIENTLAKMDDGQLDGLAFGAIQLDGDGNILQYNAAEGDIT...unknown
PPHMPDRTTDDFGPFTEQIRGTIDGMGTAEFDALPVGAIQVDGSGVIHRYNRT...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
Pharos CHEMBL66879
PubChem 637542
ChEMBL CHEMBL66879
ChEBI CHEBI:36090, CHEBI:32374
CCDC/CSD IWOZEA, PEHFUF, VIYROM, BUHPOL, PEHFUF01, COUMAC03, IJEZUT, SOLBEC01, LIZWUO, AJACUM, SOLBEC, IJIBEJ, IJIBEJ01, IVEPAD, IVENUV, RADYAA, EKOZIQ, JAJYUS
COD 4510169, 4510170