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CHEBI:8607 - pseudopelletierine

ChEBI IDCHEBI:8607
ChEBI Namepseudopelletierine
Stars
DefinitionAn azabicycloalkane alkaloid that is 9-azabicyclo[3.3.1]nonane substituted by a methyl group at position 9 and an oxo group at position 3. It is found in pomegranate trees.
Last Modified24 February 2016
DownloadsMolfile
FormulaC9H15NO
Net Charge0
Average Mass153.225
Monoisotopic Mass153.11536
SMILESCN1[C@@H]2CCC[C@H]1CC(=O)C2
InChIInChI=1S/C9H15NO/c1-10-7-3-2-4-8(10)6-9(11)5-7/h7-8H,2-6H2,1H3/t7-,8+
InChIKeyRHWSKVCZXBAWLZ-OCAPTIKFSA-N
Wikipedia
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.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
pseudopelletierine (CHEBI:8607) has role plant metabolite (CHEBI:76924)
pseudopelletierine (CHEBI:8607) is a alkaloid (CHEBI:22315)
pseudopelletierine (CHEBI:8607) is a azabicycloalkane (CHEBI:38295)
pseudopelletierine (CHEBI:8607) is a cyclic ketone (CHEBI:3992)
pseudopelletierine (CHEBI:8607) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
9-methyl-9-azabicyclo[3.3.1]nonan-3-one
Synonyms  Source
psi-PelletierineChemIDplus
GranatonineChemIDplus
9-Methyl-3-granatanoneChemIDplus
Granatan-3-oneChemIDplus
N-MethylgranatonineHMDB
Manual XrefsDatabases
C10865KEGG COMPOUND
HMDB0034580HMDB
PseudopelletierineWikipedia
C00002300KNApSAcK
Registry NumbersSources
Reaxys:3298Reaxys
CAS:552-70-5KEGG COMPOUND
CAS:552-70-5ChemIDplus
Citations