CHEBI:172926 - α-acoradiene

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ChEBI Name α-acoradiene
ChEBI ID CHEBI:172926
ChEBI ASCII Name alpha-acoradiene
Definition A 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).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Tereza Calounova
Supplier Information
Download Molfile XML SDF
Formula C15H24
Net Charge 0
Average Mass 204.357
Monoisotopic Mass 204.18780
InChI InChI=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
InChIKey DVBSKQAFCDJNSL-QLFBSQMISA-N
SMILES C[C@@H]1CC[C@@H](C(C)=C)[C@]11CCC(C)=CC1
Metabolite of Species Details
Cupressus sempervirens (NCBI:txid13469) See: DOI
Artemisia annua (NCBI:txid35608) See: DOI
Solanum habrochaites (NCBI:txid62890) See: PubMed
Roles Classification
Biological Role(s): volatile oil component
Any plant metabolite that is found naturally as a component of a volatile oil.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
(−)-α-acoradiene KNApSAcK
acoradiene ChemIDplus
α-acoradiene UniProt
alpha-acoradiene KNApSAcK
Manual Xrefs Databases
C00021582 KNApSAcK
CPD-13268 MetaCyc
View more database links
Registry Number Type Source
24048-44-0 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
10486140 PubMed citation Europe PMC
15056901 PubMed citation Europe PMC
15806554 PubMed citation Europe PMC
20201526 PubMed citation Europe PMC
23316864 PubMed citation Europe PMC
28640741 PubMed citation Europe PMC
Last Modified
22 August 2021