(+)-5-epi-aristolochene (CHEBI:23925)

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ChEBI Name	*(+)-5-epi-aristolochene*

ChEBI ID	CHEBI:23925

ChEBI ASCII Name	(+)-5-epi-aristolochene

Definition	A sesquiterpene that is 1,2,3,4,4a,5,6,7-octahydronaphthalene substituted by methyl groups at positions 4 and 4a and a prop-1-en-2-yl group at position 6 (the 4R,4aR,6R-stereoisomer).

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

Supplier Information

Download	Molfile XML SDF

Formula

C15H24

Net Charge

Average Mass

204.35106

Monoisotopic Mass

204.18780

InChI

InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h9,12-13H,1,5-8,10H2,2-4H3/t12-,13-,15-/m1/s1

InChIKey

YONHOSLUBQJXPR-UMVBOHGHSA-N

SMILES

C[C@@H]1CCCC2=CC[C@H](C[C@]12C)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.

ChEBI Ontology
Outgoing	(+)-5-epi-aristolochene (CHEBI:23925) has role plant metabolite (CHEBI:76924) (+)-5-epi-aristolochene (CHEBI:23925) is a carbobicyclic compound (CHEBI:36785) (+)-5-epi-aristolochene (CHEBI:23925) is a octahydronaphthalenes (CHEBI:138397) (+)-5-epi-aristolochene (CHEBI:23925) is a sesquiterpene (CHEBI:35189)

Incoming	1-deoxycapsidiol (CHEBI:72638) has functional parent (+)-5-epi-aristolochene (CHEBI:23925) 2β-hydroxy-5-epi-aristolochene (CHEBI:142082) has functional parent (+)-5-epi-aristolochene (CHEBI:23925) 3-deoxycapsidiol (CHEBI:72642) has functional parent (+)-5-epi-aristolochene (CHEBI:23925) capsidiol (CHEBI:28283) has functional parent (+)-5-epi-aristolochene (CHEBI:23925)

IUPAC Names

(4R,4aR,6R)-4,4a-dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene

4βH-eremophila-9,11-diene

Citation	Type	Source
25286411	PubMed citation	Europe PMC

Last Modified

07 September 2018