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CHEBI:2909 - atisine

Default Structure
ChEBI IDCHEBI:2909
ChEBI Nameatisine
Stars
DefinitionA organic heterohexacyclic compound and diterpene alkaloid isolated from Aconitum anthora. In solution, it is a 2:1 mixture of readily interconvertible epimers at position 20 (the carbon attached to both the nitrogen and an oxygen atom).
Last Modified4 January 2016
DownloadsMolfile
FormulaC22H33NO2
Net Charge0
Average Mass343.511
Monoisotopic Mass343.25113
SMILES[H]C12OCCN1C[C@]1(C)CCC[C@@]23[C@]1([H])CC[C@@]12CC[C@@H](C[C@]13[H])C(=C)[C@H]2O
InChIInChI=1S/C22H33NO2/c1-14-15-4-8-21(18(14)24)9-5-16-20(2)6-3-7-22(16,17(21)12-15)19-23(13-20)10-11-25-19/h15-19,24H,1,3-13H2,2H3/t15-,16+,17+,18+,19?,20-,21-,22-/m0/s1
InChIKeyKWVIBDAKHDJCNY-LHCLZMBSSA-N
Roles Classification
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)
atisine (CHEBI:2909) has role plant metabolite (CHEBI:76924)
atisine (CHEBI:2909) is a diterpene alkaloid (CHEBI:23847)
atisine (CHEBI:2909) is a organic heterohexacyclic compound (CHEBI:51914)
atisine (CHEBI:2909) is a secondary alcohol (CHEBI:35681)
atisine (CHEBI:2909) is a terpene alkaloid fundamental parent (CHEBI:38525)
IUPAC Name 
atisine
Synonyms  Source
AnthorineChemIDplus
AtisineKEGG COMPOUND
Manual XrefsDatabases
C00001616KNApSAcK
C08660KEGG COMPOUND
Registry NumbersSources
Reaxys:1085811Reaxys
CAS:466-43-3KEGG COMPOUND
CAS:466-43-3ChemIDplus
Citations