ASE

N-ACETYL SEROTONIN

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

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Chemical Details

Formal Charge0
Atom Count30
Chiral Atom Count0
Bond Count31
Aromatic Bond Count10
2D diagram of ASE
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Chemical Component Summary

NameN-ACETYL SEROTONIN
Systematic Name (OpenEye OEToolkits)N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]ethanamide
FormulaC12 H14 N2 O2
Molecular Weight218.252
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(NCCc2c1cc(O)ccc1nc2)C
SMILESCACTVS3.341CC(=O)NCCc1c[nH]c2ccc(O)cc12
SMILESOpenEye OEToolkits1.5.0CC(=O)NCCc1c[nH]c2c1cc(cc2)O
Canonical SMILESCACTVS3.341 CC(=O)NCCc1c[nH]c2ccc(O)cc12
Canonical SMILESOpenEye OEToolkits1.5.0 CC(=O)NCCc1c[nH]c2c1cc(cc2)O
InChIInChI1.03 InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)
InChIKeyInChI1.03 MVAWJSIDNICKHF-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB04275 
NameN-acetylserotonin
Groups experimental
Synonyms
  • N-acetyl serotonin
  • N-Acetyl-5-hydroxytryptamine
  • N-acetylserotonin
  • N-(2-(5-Hydroxy-1H-indol-3-yl)ethyl)acetamide
Categories
  • Amines
  • Autacoids
  • Biogenic Amines
  • Biogenic Monoamines
  • Biological Factors
CAS number1210-83-9

Drug Targets

NameTarget SequencePharmacological ActionActions
Sepiapterin reductaseMEGGLGRAVCLLTGASRGFGRTLAPLLASLLSPGSVLVLSARNDEALRQL...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 903
ChEMBL CHEMBL33103
ChEBI CHEBI:17697