α-Cubebene (CED0007376)

Record Information

Version

1.0

Creation Date

2026-04-06 08:15:18 UTC

Update Date

2026-05-21 14:21:29 UTC

Accession Number

CHEM120397

Identification

Common Name

α-Cubebene

Class

Small Molecule

Description

α-Cubebene is an organic compound with the formula C15H24 and an average molecular weight of 204.36 g/mol. α-Cubebene belongs to the sesquiterpenoids, a subclass of prenol lipids within the organic compounds. This substance is found in or released from two recorded sources: food contact materials and processing fish, both of which fall under food, food processing and cookware. Recorded exposure routes for α-Cubebene include inhalation, oral, and touch.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₅H₂₄

Average Molecular Mass

204.357 g/mol

Monoisotopic Mass

204.188 g/mol

CAS Registry Number

17699-14-8

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

[H][C@]12[C@@H](CC[C@@H](C)[C@]11CC=C(C)[C@]21[H])C(C)C

InChI Identifier

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

InChI Key

XUEHVOLRMXNRKQ-KHMAMNHCSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-004v-2900000000-cb9dd96728d976cfde1a	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-1390000000-5797472d9e7fa529c8bf	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-4930000000-0826dbd6d1b12cad2c7c	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0pxr-9500000000-5bf76df99a765e29264d	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-0090000000-90633cf8013739481342	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-0190000000-551c8a4137523d4a0891	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0fe1-1910000000-fb0a47d8a0a09504ee1b	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0avi-5950000000-2ef16aa9e7547e808fac	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-052f-9410000000-bd5a53349560ca7edaac	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-052f-9200000000-164aa0685a62957c4679	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-0090000000-7ccf03fa1149a1e9f55f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-0090000000-7ccf03fa1149a1e9f55f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-0090000000-1bdf848163c08abe4e84	Not Available	View Spectrum
MS	MS Spectrum	splash10-0cdl-6900000000-fc2c2b48c3130ca12608	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
2555.0	Log mg/kg	[1400:4500]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
494	Food contact materials	Food, food processing & cookware	Not Available
551	Processing Fish	Food, food processing & cookware	Not Available
607	Rodenticides(1)	Agriculture & land management	Not Available
608	Rodenticides	Agriculture & land management	Not Available
616	Face Mask Cosmetics	Personal care & cosmetics	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Transient receptor potential cation channel subfamily A member 1	Q6RI86	Rattus norvegicus	Predicted (SEA)	2652.4
Click to view 3D structure	Transient receptor potential cation channel subfamily M member 8	Q7Z2W7	Humans	Predicted (SEA)	3502.12
Click to view 3D structure	Eukaryotic elongation factor 2 kinase	P70531	Rattus norvegicus	Predicted (SEA)	72.0105
Click to view 3D structure	Sigma intracellular receptor 2	Q5BJF2	Humans	Predicted (SEA)	7558.46
Click to view 3D structure	Neuronal acetylcholine receptor subunit alpha-7	P36544	Humans	Predicted (SEA)	6337.63
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	7696.41
Click to view 3D structure	Mu-type opioid receptor	P35372	Humans	Predicted (SEA)	7638.57
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	7563.05
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	7656.94
Click to view 3D structure	DNA damage-inducible transcript 3 protein	P35639	Mus musculus	Predicted (SEA)	7274.78
Click to view 3D structure	X-box-binding protein 1	P17861	Humans	Predicted (SEA)	7277.27
Click to view 3D structure	4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase FUT5	Q11128	Humans	Predicted (SEA)	43.5177
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	7680.76
Click to view 3D structure	Abscisic acid 8'-hydroxylase 3	Q9FH76	Arabidopsis thaliana	Predicted (SEA)	35.9663
Click to view 3D structure	ALK tyrosine kinase receptor	Q9UM73	Humans	Predicted (SEA)	7694.69
Click to view 3D structure	Secretory phospholipase A2 receptor	Q13018	Humans	Predicted (SEA)	53.8717
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	7020.21
Click to view 3D structure	Sex hormone-binding globulin	P04278	Humans	Predicted (SEA)	675.653
Click to view 3D structure	Corticosteroid-binding globulin	P08185	Humans	Predicted (SEA)	325.643
Click to view 3D structure	Transient receptor potential cation channel subfamily A member 1	Q8BLA8	Mus musculus	Predicted (SEA)	3224.28
Click to view 3D structure	Proto-oncogene tyrosine-protein kinase Src	P12931	Humans	Predicted (SEA)	7734.16
Click to view 3D structure	Sorbitol dehydrogenase	P27867	Rattus norvegicus	Predicted (SEA)	824.735
Click to view 3D structure	Acidic phospholipase A2 2	P15445	Naja naja	Predicted (SEA)	65.3155
Click to view 3D structure	Focal adhesion kinase 1	Q05397	Humans	Predicted (SEA)	7709.49
Click to view 3D structure	Kappa-type opioid receptor	P41144	Cavia porcellus	Predicted (SEA)	7062.71