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CHEBI:2501 - aethusin

ChEBI IDCHEBI:2501
ChEBI Nameaethusin
Stars
DefinitionA polyene that is tridecane carrying trans double bonds at positions 2, 8, and 10 and triple bonds at positions 4 and 6. It is a phytotoxin isolated from the plant, Aethusa cynapium.
Last Modified19 February 2021
DownloadsMolfile
FormulaC13H14
Net Charge0
Average Mass170.255
Monoisotopic Mass170.10955
SMILESC/C=C/C#CC#C/C=C/C=C/CC
InChIInChI=1S/C13H14/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,5-6,8,10,12H,4H2,1-2H3/b5-3+,8-6+,12-10+
InChIKeyOUUDSRYJNWAHPD-FIXGFOPZSA-N
Species of MetaboliteComponentSourceComments
Aethusa cynapium (ncbitaxon:40954) - Article (Wink, M (2009) Mode of action and toxicology of plant toxins and poisonous plants. Wirbeltierforschung in der Kulturlandschaf, 421, 93-112.)
Roles Classification
Biological Roles:
GABAA receptor antagonist  A GABA receptor antgonist specific for GABAA receptors, ligand-gated ion channels (also known as ionotropic receptors).
phytotoxin  Any toxin produced by a plant.
Application:
GABAA receptor antagonist  A GABA receptor antgonist specific for GABAA receptors, ligand-gated ion channels (also known as ionotropic receptors).
ChEBI Ontology
Outgoing Relation(s)
aethusin (CHEBI:2501) has role GABAA receptor antagonist (CHEBI:145515)
aethusin (CHEBI:2501) has role phytotoxin (CHEBI:38231)
aethusin (CHEBI:2501) is a enyne (CHEBI:59831)
aethusin (CHEBI:2501) is a polyene (CHEBI:48121)
IUPAC Name 
(2E,8E,10E)-trideca-2,8,10-triene-4,6-diyne
Synonym  Source
AethusinKEGG COMPOUND
Manual XrefsDatabases
C08395KEGG COMPOUND
C00001272KNApSAcK
4444574ChemSpider
Registry NumbersSources
CAS:463-34-3KEGG COMPOUND
Citations