alpha-cubebene (CHEBI:10224)

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ChEBI Name	α-cubebene

ChEBI ID	CHEBI:10224

ChEBI ASCII Name	alpha-cubebene

Definition	A tricyclic sesquiterpene with formula C₁₅H₂₄, isolated from Hungarian thyme, citrus fruit, chamomile, and several other flowering plants.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C15H24

Net Charge

Average Mass

204.357

Monoisotopic Mass

204.18780

InChI

InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h7,9,11-14H,5-6,8H2,1-4H3/t11-,12+,13-,14-,15+/m1/s1

InChIKey

XUEHVOLRMXNRKQ-KHMAMNHCSA-N

SMILES

C1C[C@H]([C@]2([C@]3([C@@H]1C)CC=C([C@]23[H])C)[H])C(C)C

Metabolite of Species	Details
Solanum verbascifolium (IPNI:332155-2)	Found in leaf (BTO:0000713). See: Ruijun et al. (2006) Chemical constituents of essential oil from leaves of Solanum verbascifolium(Solanaceae). Journal of Tropical and Subtropical Botany, 14(6), 526-529.
Thymus pannonicus (IPNI:461498-1)	See: PubMed
Lepidagathis fasciculata (IPNI:52001-1)	Found in aerial part (BTO:0001658). See: PubMed
Cinnamomum (NCBI:txid13428)	See: PubMed
Citrus grandis (NCBI:txid37334)	Isolated from peel. See: PubMed
Citrus x paradisi (NCBI:txid37656)	Isolated from peel. See: PubMed
Annona cherimola (NCBI:txid49314)	Found in leaf (BTO:0000713). See: PubMed
Piper lanceifolium (NCBI:txid538291)	Found in aerial part (BTO:0001658). See: PubMed
Homo sapiens (NCBI:txid9606)	Found in saliva (UBERON:0001836). See: PubMed
Homo sapiens (NCBI:txid9606)	Found in faeces (UBERON:0001988). See: PubMed
Matricaria chamomilla (NCBI:txid98504)	See: PubMed

Roles Classification
Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). volatile oil component Any plant metabolite that is found naturally as a component of a volatile oil.

ChEBI Ontology
Outgoing	α-cubebene (CHEBI:10224) has role human metabolite (CHEBI:77746) α-cubebene (CHEBI:10224) has role plant metabolite (CHEBI:76924) α-cubebene (CHEBI:10224) has role volatile oil component (CHEBI:27311) α-cubebene (CHEBI:10224) is a carbotricyclic compound (CHEBI:38032) α-cubebene (CHEBI:10224) is a sesquiterpene (CHEBI:35189)

IUPAC Name

(3aS,3bR,4S,7R,7aR)-3,7-dimethyl-4-(propan-2-yl)-3a,3b,4,5,6,7-hexahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzene

Synonyms	Sources
(−)-alpha-cubebene	ChemIDplus
(−)-α-cubebene	ChemIDplus
(1R,5S,6R,7S,10R)-4,10-dimethyl-7-(propan-2-yl)tricyclo[4.4.0.0^1,5]dec-3-ene	IUPAC
α-cubebene	UniProt
alpha-cubebene	ChemIDplus

Last Modified

21 July 2020