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CHEBI:172926 - α-acoradiene

ChEBI IDCHEBI:172926
ChEBI Nameα-acoradiene
Stars
ASCII Namealpha-acoradiene
DefinitionA spiro compound that is 1,8-dimethyl-4-(prop-1-en-2-yl)spiro[4.5]decane that has been dehydrogenated to introduce a double bond at position 8-9 (the 1R,4S,5S isomer).
Last Modified22 August 2021
SubmitterTereza Calounova
DownloadsMolfile
FormulaC15H24
Net Charge0
Average Mass204.357
Monoisotopic Mass204.18780
SMILESC=C(C)[C@@H]1CC[C@@H](C)[C@]12CC=C(C)CC2
InChIInChI=1S/C15H24/c1-11(2)14-6-5-13(4)15(14)9-7-12(3)8-10-15/h7,13-14H,1,5-6,8-10H2,2-4H3/t13-,14+,15-/m1/s1
InChIKeyDVBSKQAFCDJNSL-QLFBSQMISA-N
Species of MetaboliteComponentSourceComments
Solanum habrochaites (ncbitaxon:62890) - PubMed (21818683)
Cupressus sempervirens (ncbitaxon:13469) - DOI (10.1080/14786419.2012.755680)
Artemisia annua (ncbitaxon:35608) - DOI (10.1006/abbi.1999.1358)
Roles Classification
Biological Role:
volatile oil component  Any plant metabolite that is found naturally as a component of a volatile oil.
ChEBI Ontology
Outgoing Relation(s)
α-acoradiene (CHEBI:172926) has role volatile oil component (CHEBI:27311)
α-acoradiene (CHEBI:172926) is a sesquiterpene (CHEBI:35189)
α-acoradiene (CHEBI:172926) is a spiro compound (CHEBI:33599)
IUPAC Name 
(1R,4S,5S)-1,8-dimethyl-4-(prop-1-en-2-yl)spiro[4.5]dec-7-ene
Synonyms  Source
alpha-acoradieneKNApSAcK
(−)-α-acoradieneKNApSAcK
acoradieneChemIDplus
UniProt Name  Source
α-acoradieneUniProt
Manual XrefsDatabases
C00021582KNApSAcK
CPD-13268MetaCyc
Registry NumbersSources
CAS:24048-44-0ChemIDplus
Citations