EMBL-EBI | Chemical Biology | ChEBI

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

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

ChEBI IDCHEBI:23925
ChEBI Name(+)-5-epi-aristolochene
Stars
ASCII Name(+)-5-epi-aristolochene
DefinitionA 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).
Last Modified7 September 2018
DownloadsMolfile
FormulaC15H24
Net Charge0
Average Mass204.357
Monoisotopic Mass204.18780
SMILESC=C(C)[C@@H]1CC=C2CCC[C@@H](C)[C@@]2(C)C1
InChIInChI=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
InChIKeyYONHOSLUBQJXPR-UMVBOHGHSA-N
Roles Classification
Biological Role:
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 Relation(s)
(+)-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 Relation(s)
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
Synonym  Source
epi-aristolocheneChEBI
UniProt Name  Source
(+)-5-epi-aristolocheneUniProt
Registry NumbersSources
Beilstein:3588800Beilstein
Reaxys:6500129Reaxys
Citations