CHEBI:80788 - 1,4-cineole

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ChEBI Name 1,4-cineole
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 0
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+
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.
View more via ChEBI Ontology
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)
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
Manual Xrefs Databases
C00010825 KNApSAcK
FR2905517 Patent
HMDB0036096 HMDB
View more database links
Registry Numbers Types Sources
104974 Reaxys Registry Number Reaxys
470-67-7 CAS Registry Number NIST Chemistry WebBook
470-67-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
11695850 PubMed citation Europe PMC
16347465 PubMed citation Europe PMC
20670917 PubMed citation Europe PMC
20681305 PubMed citation Europe PMC
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21235472 PubMed citation Europe PMC
21707257 PubMed citation Europe PMC
22143541 PubMed citation Europe PMC
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26434979 PubMed citation Europe PMC
26578070 PubMed citation Europe PMC
26954157 PubMed citation Europe PMC
27483289 PubMed citation Europe PMC
3242309 PubMed citation Europe PMC
8285692 PubMed citation Europe PMC
Last Modified
11 November 2016