CHEBI:27961 - 1,8-cineole

ChEBI IDCHEBI:27961
ChEBI Name1,8-cineole
Stars
Secondary ChEBI IDsCHEBI:561, CHEBI:18956, CHEBI:23242, CHEBI:35814, CHEBI:41535
Last Modified23 October 2015
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC10H18O
Net Charge0
Average Mass154.253
Monoisotopic Mass154.13577
SMILESCC1(C)O[C@]2(C)CC[C@H]1CC2
InChIInChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3/t8-,10+
InChIKeyWEEGYLXZBRQIMU-WAAGHKOSSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Melaleuca alternifolia (ncbitaxon:164405) leaf (BTO:0000713) PubMed (16418522)
Roles Classification
Biological Roles:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
volatile oil component  Any plant metabolite that is found naturally as a component of a volatile oil.
Application:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
ChEBI Ontology
Outgoing Relation(s)
1,8-cineole (CHEBI:27961) has role flavouring agent (CHEBI:35617)
1,8-cineole (CHEBI:27961) is a cineole (CHEBI:23243)
Incoming Relation(s)
tea tree oil (CHEBI:83629) has part 1,8-cineole (CHEBI:27961)
IUPAC Name 
1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane
Synonyms  Source
1,8-CineoleKEGG COMPOUND
1,8-CineolKEGG COMPOUND
1,8-cineoleIUBMB
cajeputolChemIDplus
eucalyptolChemIDplus
1,8-epoxy-p-menthaneChemIDplus
UniProt Name  Source
1,8-cineoleUniProt
Manual XrefsDatabases
C09844KEGG COMPOUND
CNLPDBeChem
EucalyptolWikipedia
DB03852DrugBank
D04115KEGG DRUG
C00000136KNApSAcK
Registry NumbersSources
Beilstein:105109Beilstein
Beilstein:5239941Beilstein
Gmelin:131076Gmelin
CAS:470-82-6KEGG COMPOUND
CAS:470-82-6ChemIDplus