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CHEBI:10115 - zingiberene

ChEBI IDCHEBI:10115
ChEBI Namezingiberene
Stars
Definition2-Methylcyclohexa-1,3-diene in which a hydrogen at the 5 position is substituted (R configuration) by a 6-methyl-hept-5-en-2-yl group (S configuration). It is a sesquiterpene found in the dried rhizomes of Indonesian ginger, Zingiber officinale.
Last Modified4 April 2019
DownloadsMolfile
FormulaC15H24
Net Charge0
Average Mass204.357
Monoisotopic Mass204.18780
SMILES[H][C@@]1([C@@H](C)CCC=C(C)C)C=CC(C)=CC1
InChIInChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-10,14-15H,5,7,11H2,1-4H3/t14-,15+/m0/s1
InChIKeyKKOXKGNSUHTUBV-LSDHHAIUSA-N
ChEBI Ontology
Outgoing Relation(s)
zingiberene (CHEBI:10115) is a cyclohexadiene (CHEBI:37613)
zingiberene (CHEBI:10115) is a sesquiterpene (CHEBI:35189)
zingiberene (CHEBI:10115) is enantiomer of ent-zingiberene (CHEBI:583099)
Incoming Relation(s)
ent-zingiberene (CHEBI:583099) is enantiomer of zingiberene (CHEBI:10115)
IUPAC Name 
(5R)-2-methyl-5-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene
Synonyms  Source
(5R)-5-[(1S)-1,5-dimethyl-4-hexenyl]-2-methyl-1,3-cyclohexadieneChEBI
(−)-zingibereneChEBI
α-zingibereneChEBI
(−)-α-zingibereneChEBI
alpha-ZingibereneKEGG COMPOUND
UniProt Name  Source
α-zingibereneUniProt
Manual XrefsDatabases
C09750KEGG COMPOUND
C00003204KNApSAcK
Registry NumbersSources
Beilstein:2554989Beilstein
CAS:495-60-3KEGG COMPOUND
CAS:495-60-3ChemIDplus