AEF

4-(2-aminoethyl)phenol

Created: 2007-12-26
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count21
Chiral Atom Count0
Bond Count21
Aromatic Bond Count6
2D diagram of AEF
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Chemical Component Summary

Name4-(2-aminoethyl)phenol
Systematic Name (OpenEye OEToolkits)4-(2-aminoethyl)phenol
FormulaC8 H11 N O
Molecular Weight137.179
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04Oc1ccc(cc1)CCN
SMILESCACTVS3.341NCCc1ccc(O)cc1
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1CCN)O
Canonical SMILESCACTVS3.341 NCCc1ccc(O)cc1
Canonical SMILESOpenEye OEToolkits1.5.0 c1cc(ccc1CCN)O
InChIInChI1.03 InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2
InChIKeyInChI1.03 DZGWFCGJZKJUFP-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB08841 
NameTyramine
Groups
  • investigational
  • nutraceutical
DescriptionTyramine (4-hydroxyphenethylamine; para-tyramine, mydrial or uteramin) is a naturally occurring monoamine compound and trace amine derived from the amino acid tyrosine. Tyramine acts by inducing the release of catecholamine. An important characteristic of this product is its impediment to cross the blood-brain barrier which restrains its side effects to only nonpsychoactive peripheral sympathomimetic effects. There have been reports of hypertensive crisis in patients ingesting tyramine-rich diet in conjunction with monoamine oxidase inhibitors (MAOIs).
Synonyms
  • Tyramine
  • Tyramine hydrochloride
Categories
  • Adrenergic Agents
  • Agents producing tachycardia
  • Agents that produce hypertension
  • Amines
  • Autonomic Agents
CAS number51-67-2

Drug Targets

NameTarget SequencePharmacological ActionActions
Solute carrier family 22 member 3MPSFDEALQRVGEFGRFQRRVFLLLCLTGVTFAFLFVGVVFLGTQPDHYW...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 CHEMBL11608
PubChem 5610
ChEMBL CHEMBL11608
ChEBI CHEBI:15760
CCDC/CSD ATOLUR01, ATOLUR, MECYAW, MECZAX, MEDHEK, MEDBAA, MEDHAG, MECZIF, MEDFUY, MECZOL, MEDDAC, MEDGAF, MEDBEE, MEDFEI, MEDGEJ, MEDCEF, MEDHOU, MEDCOP, FOYSUI, MOHBUH, VISMUI, MEDDOQ, MEDGIN, TIRZEB01, MEDBUU, MECZUR, MECYIE, MEDDEG, TIRZEB, MEDFOS, MEDCAB, MEDCUV, MEDCIJ, MEDBOO, MECYOK, XOKSAT, TYRAMC11, BAKMOP, YAWLEQ, XUDRIX, MEDHOU01, MEDHIO, RIQXOH, KOBNIB01, TYRTHM, MECYUQ, ENAYEZ, YAWLOA, RUQSOM, MEDFIM, SENJEC, TYRAMH01
COD 1513075