Chemical Component Summary

Name(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID
SynonymsTRANS-2-HYDROXYCINNAMIC ACID; O-COUMARIC ACID
Identifiers(E)-3-(2-hydroxyphenyl)prop-2-enoic acid
FormulaC9 H8 O3
Molecular Weight164.158
TypeNON-POLYMER
Isomeric SMILESc1ccc(c(c1)\C=C\C(=O)O)O
InChIInChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+
InChIKeyPMOWTIHVNWZYFI-AATRIKPKSA-N

Chemical Details

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

Drug Info: DrugBank

DrugBank IDDB01650 
Nametrans-2-hydroxycinnamic acid
Groups experimental
Synonyms
  • o-hydroxy-trans-cinnamic acid
  • (E)-3-(2-Hydroxyphenyl)-2-propenoic acid
  • trans-2-hydroxycinnamic acid
  • (2E)-3-(2-hydroxyphenyl)prop-2-enoic acid
  • o-Coumaric acid
CategoriesOAT3/SLC22A8 Inhibitors
CAS number614-60-8

Drug Targets

NameTarget SequencePharmacological ActionActions
Major NAD(P)H-flavin oxidoreductaseMTHPIIHDLENRYTSKKYDPSKKVSQEDLAVLLEALRLSASSINSQPWKF...unknown
Solute carrier family 22 member 8MTFSEILDRVGSMGHFQFLHVAILGLPILNMANHNLLQIFTAATPVHHCR...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
PubChem 637540
ChEMBL CHEMBL52564
ChEBI CHEBI:18125, CHEBI:18176
CCDC/CSD PUMFOV, COUMAD, JAJYOM