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CHEBI:34792 - histrionicotoxin

ChEBI IDCHEBI:34792
ChEBI Namehistrionicotoxin
Stars
DefinitionAn azaspiro compound that is 1-azaspiro[5.5]undecane substituted by a hydroxy group at position 8, a but-1-en-3-yn-1-yl group at position 7 and a pent-3-en-1-yn-5-yl group at position 2 (the 2S,6R,7S,8S stereoisomer).
Last Modified28 July 2014
DownloadsMolfile
FormulaC19H25NO
Net Charge0
Average Mass283.415
Monoisotopic Mass283.19361
SMILESC#C/C=C/C[C@@H]1CCC[C@]2(CCC[C@H](O)[C@H]2/C=C/C#C)N1
InChIInChI=1S/C19H25NO/c1-3-5-7-10-16-11-8-14-19(20-16)15-9-13-18(21)17(19)12-6-4-2/h1-2,5-7,12,16-18,20-21H,8-11,13-15H2/b7-5+,12-6+/t16-,17-,18+,19-/m1/s1
InChIKeyJBRYWENFVHQBGY-GFSCOHCQSA-N
Roles Classification
Biological Role:
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)
histrionicotoxin (CHEBI:34792) has role metabolite (CHEBI:25212)
histrionicotoxin (CHEBI:34792) is a azaspiro compound (CHEBI:35624)
histrionicotoxin (CHEBI:34792) is a secondary alcohol (CHEBI:35681)
histrionicotoxin (CHEBI:34792) is a terminal acetylenic compound (CHEBI:73477)
IUPAC Name 
(2S,6R,7S,8S)-7-[(1E)-but-1-en-3-yn-1-yl]-2-[(2E)-pent-2-en-4-yn-1-yl]-1-azaspiro[5.5]undecan-8-ol
Manual XrefsDatabases
C13683KEGG COMPOUND
C00028347KNApSAcK
Registry NumbersSources
Reaxys:4192658Reaxys
CAS:34272-51-0KEGG COMPOUND
CAS:34272-51-0ChemIDplus
Citations