HPP

HYDROXYPHENYL PROPIONIC ACID

Created: 1999-07-08
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count22
Chiral Atom Count0
Bond Count22
Aromatic Bond Count6
2D diagram of HPP
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Chemical Component Summary

NameHYDROXYPHENYL PROPIONIC ACID
Systematic Name (OpenEye OEToolkits)3-(4-hydroxyphenyl)propanoic acid
FormulaC9 H10 O3
Molecular Weight166.174
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(O)CCc1ccc(O)cc1
SMILESCACTVS3.341OC(=O)CCc1ccc(O)cc1
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1CCC(=O)O)O
Canonical SMILESCACTVS3.341 OC(=O)CCc1ccc(O)cc1
Canonical SMILESOpenEye OEToolkits1.5.0 c1cc(ccc1CCC(=O)O)O
InChIInChI1.03 InChI=1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12)
InChIKeyInChI1.03 NMHMNPHRMNGLLB-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB03897 
NamePhloretic acid
Groups experimental
Synonyms
  • β-(p-hydroxyphenyl)propionic acid
  • Dihydro-p-coumaric acid
  • 4-Hydroxyphenylpropionic acid
  • p-hydroxyphenylpropionic acid
  • p-Hydroxyhydrocinnamic acid
CategoriesAcids, Carbocyclic
CAS number501-97-3

Drug Targets

NameTarget SequencePharmacological ActionActions
Tyrosine phenol-lyaseMNYPAEPFRIKSVETVSMIPRDERLKKMQEAGYNTFLLNSKDIYIDLLTD...unknown
Prephenate dehydrogenaseMAILSSMFNPSPPQGFCKKNIIKILKSLSMQNVLIVGVGFMGGSFAKSLR...unknown
Tyrosine phenol-lyaseMNYPAEPFRIKSVETVSMIPRDERLKKMQEAGYNTFLLNSKDIYIDLLTD...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 10394
ChEMBL CHEMBL1172560
ChEBI CHEBI:32980
CCDC/CSD YUYGEE, YUYGEE01, ROMZIF
COD 2003638