[1S-(1R,4E,9S)]-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene (CED0190850)

Record Information

Version

1.0

Creation Date

2026-04-05 20:35:59 UTC

Update Date

2026-04-05 20:35:59 UTC

Accession Number

CHEM109041

Identification

Common Name

[1S-(1R*,4E,9S*)]-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene

Class

Small Molecule

Description

[1S-(1R*,4E,9S*)]-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene belongs to the sesquiterpenoids, a subclass of prenol lipids within the organic compounds. This compound has the chemical formula C15H24. It is categorized under the superclass of lipids and lipid-like molecules. The substance has been identified in or released from one recorded source: Building & Construction (Fencing).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₅H₂₄

Average Molecular Mass

Not Available

Monoisotopic Mass

204.188 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3

InChI Key

NPNUFJAVOOONJE-UHFFFAOYSA-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	splash10-0002-2900000000-9339cba1034fc0050a98	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	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-0190000000-e8e2a53e6c8a577cd2c4	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-052b-0940000000-4f0db568926789b82528	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-052g-9700000000-24f3ae9730f7cfa936df	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-0090000000-0b1ac00c3b3c6c0a73b9	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
2156.0	Log mg/kg	[1200:3800]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
496	Fencing	Building & Construction	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	Ferritin heavy chain	P02794	Humans	Predicted (SEA)	0.155698
Click to view 3D structure	Cannabinoid receptor 2	P34972	Humans	Predicted (SEA)	25.8459
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	99.8027
Click to view 3D structure	Cannabinoid receptor 1	P21554	Humans	Predicted (SEA)	2239.33
Click to view 3D structure	Transient receptor potential cation channel subfamily M member 8	Q7Z2W7	Humans	Predicted (SEA)	440.315
Click to view 3D structure	Heat sensitive channel TRPV3	Q4QYD9	Rattus norvegicus	Predicted (SEA)	2.72472
Click to view 3D structure	G-protein coupled receptor 55	Q9Y2T6	Humans	Predicted (SEA)	1849.62
Click to view 3D structure	Taste receptor type 2 member 46	P59540	Humans	Predicted (SEA)	0.311397
Click to view 3D structure	Androgen receptor	P15207	Rattus norvegicus	Predicted (SEA)	336.075
Click to view 3D structure	Sex hormone-binding globulin	P04278	Humans	Predicted (SEA)	65.8604
Click to view 3D structure	Corticosteroid-binding globulin	P08185	Humans	Predicted (SEA)	46.0867
Click to view 3D structure	Cannabinoid receptor 1	P20272	Rattus norvegicus	Predicted (SEA)	1410.39
Click to view 3D structure	Estrogen receptor	P03372	Humans	Predicted (SEA)	2892.64
Click to view 3D structure	Cannabinoid receptor 1	P47746	Mus musculus	Predicted (SEA)	687.331
Click to view 3D structure	Progesterone receptor	Q690N0	Bos taurus	Predicted (SEA)	101.048
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	6018.06
Click to view 3D structure	Glucose-6-phosphate 1-dehydrogenase	Q9GRG7	Trypanosoma brucei	Predicted (SEA)	27.4029
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 1	Q8NER1	Humans	Predicted (SEA)	3380.99
Click to view 3D structure	Aromatase	P11511	Humans	Predicted (SEA)	1911.35
Click to view 3D structure	Estrogen receptor beta	Q92731	Humans	Predicted (SEA)	3949.14
Click to view 3D structure	Androgen receptor	P10275	Humans	Predicted (SEA)	3732.4
Click to view 3D structure	Cannabinoid receptor 2	P47936	Mus musculus	Predicted (SEA)	1253.92
Click to view 3D structure	Mu-type opioid receptor	P35372	Humans	Predicted (SEA)	6376.24
Click to view 3D structure	Progesterone receptor	P06401	Humans	Predicted (SEA)	3599.05
Click to view 3D structure	NACHT, LRR and PYD domains-containing protein 3	Q96P20	Humans	Predicted (SEA)	2337.89