CHEBI:80749 - α-cadinene

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ChEBI Name α-cadinene
ChEBI ID CHEBI:80749
ChEBI ASCII Name alpha-cadinene
Definition A cadinene sesquiterpene that consists of 1-(propan-2-yl)-1,2,4a,5,6,8a-hexahydronaphthalene having two methyl substituents at positions 1 and 4 (the 1S,4aS,8aS-configuration).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C15H24
Net Charge 0
Average Mass 204.357
Monoisotopic Mass 204.18780
InChI InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,9-10,13-15H,5,7-8H2,1-4H3/t13-,14-,15-/m0/s1
InChIKey QMAYBMKBYCGXDH-KKUMJFAQSA-N
SMILES [H][C@@]12CCC(C)=C[C@@]1([H])[C@@H](CC=C2C)C(C)C
Metabolite of Species Details
Baccharoides lilacina (IPNI:20008441-1) Found in aerial part (BTO:0001658). See: PubMed
Litsea paludosa (IPNI:465919-1) See: DOI
Gynura cusimbua (NCBI:txid1535311) Found in aerial part (BTO:0001658). See: DOI
Cistus creticus (NCBI:txid191224) Found in leaf (BTO:0000713). See: PubMed
Astragalus microcephalus (NCBI:txid1960787) Found in aerial part (BTO:0001658). See: DOI
Dryopteris fragrans (NCBI:txid239565) See: PubMed
Pinus sylvestris (NCBI:txid3349) See: PubMed
Melissa officinalis (NCBI:txid39338) See: PubMed
Pinus heldreichii (NCBI:txid88729) See: PubMed
Roles Classification
Biological Role(s): volatile oil component
Any plant metabolite that is found naturally as a component of a volatile oil.
(via cadinene )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing α-cadinene (CHEBI:80749) has role volatile oil component (CHEBI:27311)
α-cadinene (CHEBI:80749) is a cadinene (CHEBI:22976)
α-cadinene (CHEBI:80749) is a hexahydronaphthalenes (CHEBI:142348)
IUPAC Name
(1S,4aR,8aR)-4,7-dimethyl-1-(propan-2-yl)-1,2,4a,5,6,8a-hexahydronaphthalene
Synonyms Sources
(−)-α-cadinene ChemIDplus
(−)-cadina-4,9-diene ChemIDplus
(1S,4aR,8aR)-1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)naphthalene ChEBI
α-cadinene UniProt
Manual Xrefs Databases
16737087 ChemSpider
C00020051 KNApSAcK
C16815 KEGG COMPOUND
CPD-8788 MetaCyc
FDB017447 FooDB
HMDB0038205 HMDB
View more database links
Registry Numbers Types Sources
11044-40-9 CAS Registry Number ChemIDplus
24406-05-1 CAS Registry Number NIST Chemistry WebBook
24406-05-1 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
16913486 PubMed citation Europe PMC
17510986 PubMed citation Europe PMC
18264780 PubMed citation Europe PMC
18372084 PubMed citation Europe PMC
23678821 PubMed citation Europe PMC
33867898 PubMed citation Europe PMC
34356313 PubMed citation Europe PMC
9342956 PubMed citation Europe PMC
IND43757670 Agricola citation Europe PMC
IND43778891 Agricola citation Europe PMC
IND43895546 Agricola citation Europe PMC
Last Modified
19 November 2021