1-epi-bicyclosesquiphellandrene (CHEBI:192967)

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ChEBI Name	*1-epi-bicyclosesquiphellandrene*

ChEBI ID	CHEBI:192967

ChEBI ASCII Name	1-epi-bicyclosesquiphellandrene

Definition	An octahydronaphthalene that is 1,2,3,4,4a,5,6,7-octahydronaphthalene substituted by isopropyl, methyl, and methylidene groups at positions 1, 4 and 7, respectively (the (1S,4R,4aS)-stereoisomer).

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

Supplier Information

Download	Molfile XML SDF

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,3,5-8H2,1-2,4H3/t12-,13+,14+/m1/s1

InChIKey

RNDFUOKDULDZPR-RDBSUJKOSA-N

SMILES

[H][C@@]12CCC(=C)C=C1[C@@H](CC[C@H]2C)C(C)C

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.

ChEBI Ontology
Outgoing	1-epi-bicyclosesquiphellandrene (CHEBI:192967) has role plant metabolite (CHEBI:76924) 1-epi-bicyclosesquiphellandrene (CHEBI:192967) has role volatile oil component (CHEBI:27311) 1-epi-bicyclosesquiphellandrene (CHEBI:192967) is a octahydronaphthalenes (CHEBI:138397) 1-epi-bicyclosesquiphellandrene (CHEBI:192967) is a sesquiterpene (CHEBI:35189)

IUPAC Name

(1S,4R,4aS)-4-methyl-7-methylidene-1-(propan-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene

Synonym	Source
1-epibicyclosesquiphellandrene	KNApSAcK

Registry Number	Type	Source
54274-73-6	CAS Registry Number	KNApSAcK

Last Modified

12 August 2022