EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:156226 - epizonarene

ChEBI IDCHEBI:156226
ChEBI Nameepizonarene
Stars
DefinitionA sesquiterpene that is (8aR)-1,2,3,7,8,8a-hexahydronaphthalene which is substituted at positions 2 and 5 by methyl groups and at position 8 by an isopropyl group (the 1R,8aS-diastereoisomer).
Last Modified27 July 2020
SubmitterAnne Morgat
DownloadsMolfile
FormulaC15H24
Net Charge0
Average Mass204.357
Monoisotopic Mass204.18780
SMILES[H][C@@]12CCC(C)=CC1=C(C(C)C)CC[C@H]2C
InChIInChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,12,14H,5-8H2,1-4H3/t12-,14+/m1/s1
InChIKeyFIAKMTRUEKZMNO-OCCSQVGLSA-N
Species of MetaboliteComponentSourceComments
Stachys viticina (ncbitaxon:1007651) leaf (BTO:0000713) PubMed (31661884)
Vitis vinifera (ncbitaxon:29760) - PubMed (20707339)
Cupressus cashmeriana (ncbitaxon:187464) leaf (BTO:0000713) PubMed (26434142)
Tanacetum longifolium (ncbitaxon:1485332) root (BTO:0001188) PubMed (12453516)
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.
volatile oil component  Any plant metabolite that is found naturally as a component of a volatile oil.
ChEBI Ontology
Outgoing Relation(s)
epizonarene (CHEBI:156226) has role plant metabolite (CHEBI:76924)
epizonarene (CHEBI:156226) has role volatile oil component (CHEBI:27311)
epizonarene (CHEBI:156226) is a hexahydronaphthalenes (CHEBI:142348)
epizonarene (CHEBI:156226) is a sesquiterpene (CHEBI:35189)
IUPAC Name 
(1R,8aS)-1,6-dimethyl-4-(propan-2-yl)-1,2,3,7,8,8a-hexahydronaphthalene
Synonyms  Source
(+)-epizonareneKNApSAcK
10-epizonareneNIST Chemistry WebBook
UniProt Name  Source
epizonareneUniProt
Manual XrefsDatabases
C00037113KNApSAcK
FDB007717FooDB
Registry NumbersSources
CAS:41702-63-0NIST Chemistry WebBook
Citations