CHEBI:27961 - 1,8-cineole

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1,8-cineole
ChEBI ID CHEBI:27961
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:35814, CHEBI:41535, CHEBI:561, CHEBI:18956, CHEBI:23242
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Formula C10H18O
Net Charge 0
Average Mass 154.24932
Monoisotopic Mass 154.136
InChI InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3/t8-,10+
InChIKey WEEGYLXZBRQIMU-WAAGHKOSSA-N
SMILES C[C@@]12CC[C@@H](CC1)C(C)(C)O2
Metabolite of Species Details
Melaleuca alternifolia (NCBI:txid164405) Found in leaf (BTO:0000713). See: PubMed
Roles Classification
Biological Role(s): flavouring agent
A food additive that is used to added improve the taste or odour of a food.
volatile oil component
Any metabolite that is found naturally as a component of a volatile oil.
(via cineole )
Application(s): flavouring agent
A food additive that is used to added improve the taste or odour of a food.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1,8-cineole (CHEBI:27961) has role flavouring agent (CHEBI:35617)
1,8-cineole (CHEBI:27961) is a cineole (CHEBI:23243)
Incoming 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 Sources
1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE PDBeChem
1,8-Cineol KEGG COMPOUND
1,8-Cineole KEGG COMPOUND
1,8-cineole UniProt
1,8-cineole IUBMB
1,8-epoxy-p-menthane ChemIDplus
1,8-oxido-p-menthane NIST Chemistry WebBook
cajeputol ChemIDplus
cineole ChemIDplus
eucalyptol ChemIDplus
Zineol NIST Chemistry WebBook
Manual Xrefs Databases
C00000136 KNApSAcK
C09844 KEGG COMPOUND
CNL PDBeChem
D04115 KEGG DRUG
DB03852 DrugBank
Eucalyptol Wikipedia
View more database links
Registry Numbers Types Sources
105109 Beilstein Registry Number Beilstein
131076 Gmelin Registry Number Gmelin
470-82-6 CAS Registry Number KEGG COMPOUND
470-82-6 CAS Registry Number ChemIDplus
5239941 Beilstein Registry Number Beilstein
Last Modified
23 October 2015