2HC

(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID

Created:2003-12-22
Last modified:  2020-06-05

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count20
Chiral Atom Count0
Bond Count20
Aromatic Bond Count6
2D diagram of 2HC
Toggle HydrogenToggle Labels

Chemical Component Summary

Name(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID
SynonymsTRANS-2-HYDROXYCINNAMIC ACID; O-COUMARIC ACID
Systematic Name (OpenEye OEToolkits)(E)-3-(2-hydroxyphenyl)prop-2-enoic acid
FormulaC9 H8 O3
Molecular Weight164.158
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)/C=C/c1ccccc1O
SMILESCACTVS3.341OC(=O)C=Cc1ccccc1O
SMILESOpenEye OEToolkits1.5.0c1ccc(c(c1)C=CC(=O)O)O
Canonical SMILESCACTVS3.341 OC(=O)\C=C\c1ccccc1O
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccc(c(c1)\C=C\C(=O)O)O
InChIInChI1.03 InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+
InChIKeyInChI1.03 PMOWTIHVNWZYFI-AATRIKPKSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB01650 
Nametrans-2-hydroxycinnamic acid
Groups experimental
Synonyms
  • 2-Coumarate
  • 2-Coumaric acid
  • (2E)-3-(2-hydroxyphenyl)-2-propenoic acid
  • (E)-o-hydroxycinnamic acid
  • (E)-3-(2-Hydroxyphenyl)-2-propenoic acid
CategoriesOAT3/SLC22A8 Inhibitors
CAS number614-60-8

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Carbonic anhydrase 2MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVS...unknowninhibitor
Carbonic anhydrase 1MASPDWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISV...unknowninhibitor
Major NAD(P)H-flavin oxidoreductaseMTHPIIHDLENRYTSKKYDPSKKVSQEDLAVLLEALRLSASSINSQPWKF...unknown
Organic anion transporter 3MTFSEILDRVGSMGHFQFLHVAILGLPILNMANHNLLQIFTAATPVHHCR...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