Chemical Component Summary

NameCAFFEIC ACID
Synonyms3,4-DIHYDROXYCINNAMIC ACID
Identifiers(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
FormulaC9 H8 O4
Molecular Weight180.157
TypeNON-POLYMER
Isomeric SMILESc1cc(c(cc1\C=C\C(=O)O)O)O
InChIInChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
InChIKeyQAIPRVGONGVQAS-DUXPYHPUSA-N

Chemical Details

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

Drug Info: DrugBank

DrugBank IDDB01880 
Name3,4-Dihydroxycinnamic Acid
Groups
  • investigational
  • experimental
Synonyms3,4-Dihydroxycinnamic Acid
Categories
  • Acids, Carbocyclic
  • Antioxidants
  • Biological Factors
  • Cinnamates
  • Compounds used in a research, industrial, or household setting
CAS number331-39-5

Drug Targets

NameTarget SequencePharmacological ActionActions
Histidine ammonia-lyaseMLAMSPPKPAVELDRHIDLDQAHAVASGGARIVLAPPARDRCRASEARLG...unknown
Macrophage migration inhibitory factorMPMFIVNTNVPRASVPDGFLSELTQQLAQATGKPPQYIAVHVVPDQLMAF...unknown
Photoactive yellow proteinMEHVAFGSEDIENTLAKMDDGQLDGLAFGAIQLDGDGNILQYNAAEGDIT...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 CHEMBL145
PubChem 689043
ChEMBL CHEMBL145
ChEBI CHEBI:36281, CHEBI:16433
CCDC/CSD FESNOG01, UTILIU, FESNOG04, FESNOG02, FESNOG, FOSMIL03, FOSMIL01, FOSMIL, FOSMIL02, FESNOG03, XAGVOU, KAGZOL, ISOJUY
COD 4512025, 4512022