epizonarene (CHEBI:156226)

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ChEBI Name	epizonarene

ChEBI ID	CHEBI:156226

Definition	A 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).

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

Submitter	Anne Morgat

Supplier Information

Download	Molfile XML SDF

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Formula

C15H24

Net Charge

Average Mass

204.357

Monoisotopic Mass

204.18780

InChI

InChI=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

InChIKey

FIAKMTRUEKZMNO-OCCSQVGLSA-N

SMILES

C1[C@@]2(C(C=C(C1)C)=C(CC[C@H]2C)C(C)C)[H]

Metabolite of Species	Details
Stachys viticina (NCBI:txid1007651)	Found in leaf (BTO:0000713). See: PubMed
Tanacetum longifolium (NCBI:txid1485332)	Found in root (BTO:0001188). See: PubMed
Cupressus cashmeriana (NCBI:txid187464)	Found in leaf (BTO:0000713). See: PubMed
Vitis vinifera (NCBI:txid29760)	See: PubMed

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

ChEBI Ontology
Outgoing	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

Registry Number	Type	Source
41702-63-0	CAS Registry Number	NIST Chemistry WebBook

Last Modified

27 July 2020