1,4-cineole (CHEBI:80788)

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ChEBI Name	1,4-cineole

ChEBI ID	CHEBI:80788

Definition	An oxabicycloalkane consisting of p-menthane with an epoxy bridge across positions 1 and 4.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

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Formula

C10H18O

Net Charge

Average Mass

154.250

Monoisotopic Mass

154.13577

InChI

InChI=1S/C10H18O/c1-8(2)10-6-4-9(3,11-10)5-7-10/h8H,4-7H2,1-3H3/t9-,10+

InChIKey

RFFOTVCVTJUTAD-AOOOYVTPSA-N

SMILES

C1C[C@]2(CC[C@]1(C)O2)C(C)C

Metabolite of Species	Details
Alpinia sp.ciosa (NCBI:txid188493)	See: PubMed
Chimonanthus zhejiangensis (NCBI:txid262280)	See: PubMed
Cannabis sativa (NCBI:txid3483)	See: Nippon Kogaku Zasshi, 91, (1970), 762
Piper cubeba (NCBI:txid405322)	See: Nippon Kogaku Zasshi, 91, (1970), 762
Polygonum hydropiper (NCBI:txid46901)	See: PubMed
Thymus vulgaris L. (NCBI:txid49992)	See: PubMed

Roles Classification
Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. volatile oil component Any plant metabolite that is found naturally as a component of a volatile oil. (via cineole )

Application(s):	fumigant insecticide central nervous system depressant A loosely defined group of drugs that tend to reduce the activity of the central nervous system.

ChEBI Ontology
Outgoing	1,4-cineole (CHEBI:80788) has role central nervous system depressant (CHEBI:35488) 1,4-cineole (CHEBI:80788) has role fumigant insecticide (CHEBI:39277) 1,4-cineole (CHEBI:80788) has role plant metabolite (CHEBI:76924) 1,4-cineole (CHEBI:80788) is a cineole (CHEBI:23243) 1,4-cineole (CHEBI:80788) is a oxabicycloalkane (CHEBI:46733)

IUPAC Name

1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane

Synonyms	Sources
(1s,4s)-1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane	IUPAC
1,4-Cineol	NIST Chemistry WebBook
1,4-cineole	UniProt
1,4-Epoxy-p-menthane	ChemIDplus
1-Isopropyl-4-methyl-7-oxabicyclo(2.2.1)heptane	HMDB
1-Methyl-4-(1-methylethyl)-7-oxabicyclo[2.2.1]heptane	HMDB
Isocineole	HMDB
Isocineple	KNApSAcK

Last Modified

11 November 2016