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CHEBI:61700 - (+)-valencene

ChEBI IDCHEBI:61700
ChEBI Name(+)-valencene
Stars
DefinitionA carbobicyclic compound and sesquiterpene that is 1,2,3,4,4a,5,6,7-octahydronaphthalene which is substituted a prop-1-en-2-yl group at position 3 and by methyl groups at positions 4a and 5 (the 3R,4aS,5R- diastereoisomer).
Last Modified22 August 2017
SubmitterGareth Owen
DownloadsMolfile
FormulaC15H24
Net Charge0
Average Mass204.357
Monoisotopic Mass204.18780
SMILESC=C(C)[C@@H]1CCC2=CCC[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/h7,12-13H,1,5-6,8-10H2,2-4H3/t12-,13-,15+/m1/s1
InChIKeyQEBNYNLSCGVZOH-NFAWXSAZSA-N
ChEBI Ontology
Outgoing Relation(s)
(+)-valencene (CHEBI:61700) is a carbobicyclic compound (CHEBI:36785)
(+)-valencene (CHEBI:61700) is a polycyclic olefin (CHEBI:35714)
(+)-valencene (CHEBI:61700) is a sesquiterpene (CHEBI:35189)
IUPAC Name 
(3R,4aS,5R)-4a,5-dimethyl-3-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene
Synonyms  Source
ent-7βH-eremophila-10(1),11-dieneChEBI
(1R-(1α,7β,8α))-1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylvinyl)naphthaleneChemIDplus
valenceneChemIDplus
UniProt Name  Source
(+)-valenceneUniProt
Manual XrefsDatabases
CPD-7989MetaCyc
C17277KEGG COMPOUND
Registry NumbersSources
Reaxys:3539153Reaxys
CAS:4630-07-3ChemIDplus
CAS:4630-07-3KEGG COMPOUND
Citations