CHEBI:80754 - guvacoline

ChEBI IDCHEBI:80754
ChEBI Nameguvacoline
Stars
DefinitionThe methyl ester of guvacine.
Last Modified2 April 2015
DownloadsMolfile
FormulaC7H11NO2
Net Charge0
Average Mass141.170
Monoisotopic Mass141.07898
SMILESCOC(=O)C1=CCCNC1
InChIInChI=1S/C7H11NO2/c1-10-7(9)6-3-2-4-8-5-6/h3,8H,2,4-5H2,1H3
InChIKeyDYPLDWLIOGXSSE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Areca catechu (ncbitaxon:184783) fruit (BTO:0000486) Article (Phytochemistry, 1998, Vol. 48(3), pp. 581-582.)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
muscarinic agonist  Any drug that binds to and activates a muscarinic cholinergic receptor.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
muscarinic agonist  Any drug that binds to and activates a muscarinic cholinergic receptor.
ChEBI Ontology
Outgoing Relation(s)
guvacoline (CHEBI:80754) has functional parent guvacine (CHEBI:5576)
guvacoline (CHEBI:80754) has role muscarinic agonist (CHEBI:38325)
guvacoline (CHEBI:80754) has role plant metabolite (CHEBI:76924)
guvacoline (CHEBI:80754) is a enoate ester (CHEBI:51702)
guvacoline (CHEBI:80754) is a methyl ester (CHEBI:25248)
guvacoline (CHEBI:80754) is a pyridine alkaloid (CHEBI:26416)
guvacoline (CHEBI:80754) is a secondary amino compound (CHEBI:50995)
guvacoline (CHEBI:80754) is a tetrahydropyridine (CHEBI:26921)
guvacoline (CHEBI:80754) is a α,β-unsaturated carboxylic ester (CHEBI:51737)
guvacoline (CHEBI:80754) is a β-amino acid ester (CHEBI:85139)
IUPAC Name 
methyl 1,2,5,6-tetrahydropyridine-3-carboxylate
Synonyms  Source
guvacine methyl esterChEBI
guvacolineChEBI
methyl 1,2,5,6-tetrahydronicotinateChEBI
norarecolineChEBI
Manual XrefsDatabases
C00044191KNApSAcK
C16821KEGG COMPOUND
Registry NumbersSources
CAS:495-19-2KEGG COMPOUND
CAS:495-19-2ChemIDplus
Citations