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CHEBI:84966 - ipsdienone

ChEBI IDCHEBI:84966
ChEBI Nameipsdienone
Stars
DefinitionA member of the class of monoterpene ketones that is octa-2,7-dien-4-one substituted at positions 2 and 6 by methyl and methylidene groups respectively.
Last Modified22 April 2015
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC10H14O
Net Charge0
Average Mass150.221
Monoisotopic Mass150.10447
SMILESC=CC(=C)CC(=O)C=C(C)C
InChIInChI=1S/C10H14O/c1-5-9(4)7-10(11)6-8(2)3/h5-6H,1,4,7H2,2-3H3
InChIKeyRPDIIOSMVGHNKJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Clausena anisata (ncbitaxon:159034)
leaf (BTO:0000713) DOI (10.1080/10412905.1999.9701119)
seed (BTO:0001226) DOI (10.1080/10412905.1999.9701119)
Ips paraconfusus (ncbitaxon:89938) - PubMed (24318848)
Ips pini (ncbitaxon:102803) - PubMed (22101251)
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.
animal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
ChEBI Ontology
Outgoing Relation(s)
ipsdienone (CHEBI:84966) has role animal metabolite (CHEBI:75767)
ipsdienone (CHEBI:84966) has role plant metabolite (CHEBI:76924)
ipsdienone (CHEBI:84966) is a enone (CHEBI:51689)
ipsdienone (CHEBI:84966) is a monoterpene ketone (CHEBI:25408)
IUPAC Name 
2-methyl-6-methylideneocta-2,7-dien-4-one
Synonym  Source
2-methyl-6-methylene-2,7-octadien-4-oneMetaCyc
UniProt Name  Source
ipsdienoneUniProt
Manual XrefsDatabases
CPD-15919MetaCyc
Registry NumbersSources
Reaxys:1924646Reaxys
CAS:539-70-8MetaCyc
Citations