4,5-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene (CED0177089)

Record Information

Version

1.0

Creation Date

2026-08-18 18:33:00 UTC

Update Date

2026-08-18 18:33:00 UTC

SynCED ID

CED0177089

Secondary Accession Numbers

CHEM165844

Identification

Common Name

4,5-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene

Class

Small Molecule

Description

4,5-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene belongs to the branched unsaturated hydrocarbons, a subclass of unsaturated hydrocarbons within the organic compounds. This compound has the chemical formula C12H16 and an average molecular weight of 160.25 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₂H₁₆

Average Molecular Mass

160.250 g/mol

Monoisotopic Mass

160.125 g/mol

CAS Registry Number

26472-00-4

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C12H16/c1-7-5-11-9-3-4-10(6-9)12(11)8(7)2/h3-5,8-12H,6H2,1-2H3

InChI Key

GUOAPVPPPVLIQQ-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

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
2573.0 Log mg/kg [1400:4600]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000561	Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.	Household cleaning & consumer products	Not Available
CEDs000580	Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.	Industrial manufacturing & chemical processing	Not Available
CEDs000614	Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.	Personal care & cosmetics	Not Available
CEDs000655	Slide Fasteners?Slide fasteners, commonly known as zippers, are mechanical devices used to join two edges of fabric or other materials.	Textiles, leather & furnishings	Not Available
CEDs000671	Airplanes And Helicopters?Airplanes and helicopters are significant sources of synthetic chemical contamination primarily through the use of aviation fuels, lubricants, and de-icing agents.	Aviation & Aerospace	Not Available
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	Not Available
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	Not Available
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	Not Available

Pathways

0 pathwaysPathway Source: PathBank

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	Sigma intracellular receptor 2	Q5BJF2	Humans	Predicted (SEA)	Prediction Confidence Score 0.146 Applicability Domain 0.154 Low confidence Statistical Significance 0.9868 Supporting Reference Compounds 308 E-value 7682.32
Click to view 3D structure	Neuronal acetylcholine receptor subunit alpha-7	P36544	Humans	Predicted (SEA)	Prediction Confidence Score 0.146 Applicability Domain 0.154 Low confidence Statistical Significance 0.9139 Supporting Reference Compounds 77 E-value 7114.48
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.145 Applicability Domain 0.151 Low confidence Statistical Significance 0.9916 Supporting Reference Compounds 373 E-value 7719.84
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	Prediction Confidence Score 0.145 Applicability Domain 0.151 Low confidence Statistical Significance 0.9875 Supporting Reference Compounds 297 E-value 7687.84
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	Prediction Confidence Score 0.145 Applicability Domain 0.154 Low confidence Statistical Significance 0.9928 Supporting Reference Compounds 506 E-value 7729.18
Click to view 3D structure	Nitric oxide synthase 3	P29474	Humans	Predicted (SEA)	Prediction Confidence Score 0.143 Applicability Domain 0.163 Low confidence Statistical Significance 0.672 Supporting Reference Compounds 36 E-value 5231.55
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q9R0C9	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.142 Applicability Domain 0.148 Low confidence Statistical Significance 0.9374 Supporting Reference Compounds 207 E-value 7297.35
Click to view 3D structure	DNA damage-inducible transcript 3 protein	P35639	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.142 Applicability Domain 0.182 Low confidence Statistical Significance 0.9691 Supporting Reference Compounds 226 E-value 7544.29
Click to view 3D structure	X-box-binding protein 1	P17861	Humans	Predicted (SEA)	Prediction Confidence Score 0.142 Applicability Domain 0.182 Low confidence Statistical Significance 0.9693 Supporting Reference Compounds 227 E-value 7545.77
Click to view 3D structure	Acetylcholinesterase	P23795	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.141 Applicability Domain 0.155 Low confidence Statistical Significance 0.7827 Supporting Reference Compounds 50 E-value 6093.02
Click to view 3D structure	High affinity choline transporter 1	Q9GZV3	Humans	Predicted (SEA)	Prediction Confidence Score 0.141 Applicability Domain 0.182 Low confidence Statistical Significance 0.934 Supporting Reference Compounds 75 E-value 7270.81
Click to view 3D structure	Poly [ADP-ribose] polymerase tankyrase-2	Q3UES3	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.141 Applicability Domain 0.141 Low confidence Statistical Significance 0.3136 Supporting Reference Compounds 1 E-value 2441.66
Click to view 3D structure	Poly [ADP-ribose] polymerase tankyrase-1	Q6PFX9	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.141 Applicability Domain 0.141 Low confidence Statistical Significance 0.3136 Supporting Reference Compounds 1 E-value 2441.66
Click to view 3D structure	Taste receptor type 2 member 46	P59540	Humans	Predicted (SEA)	Prediction Confidence Score 0.14 Applicability Domain 0.196 Low confidence Statistical Significance 0.002 Supporting Reference Compounds 5 E-value 15.8812
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	Prediction Confidence Score 0.14 Applicability Domain 0.155 Low confidence Statistical Significance 0.9931 Supporting Reference Compounds 406 E-value 7731.21
Click to view 3D structure	Nitric oxide synthase, inducible	P35228	Humans	Predicted (SEA)	Prediction Confidence Score 0.139 Applicability Domain 0.163 Low confidence Statistical Significance 0.8058 Supporting Reference Compounds 47 E-value 6273.4
Click to view 3D structure	Alpha-2C adrenergic receptor	P18825	Humans	Predicted (SEA)	Prediction Confidence Score 0.139 Applicability Domain 0.145 Low confidence Statistical Significance 0.9943 Supporting Reference Compounds 386 E-value 7740.78
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	Prediction Confidence Score 0.139 Applicability Domain 0.154 Low confidence Statistical Significance 0.9953 Supporting Reference Compounds 562 E-value 7748.49
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	Prediction Confidence Score 0.138 Applicability Domain 0.148 Low confidence Statistical Significance 0.9944 Supporting Reference Compounds 385 E-value 7741.33
Click to view 3D structure	Histamine H2 receptor	P25021	Humans	Predicted (SEA)	Prediction Confidence Score 0.138 Applicability Domain 0.146 Low confidence Statistical Significance 0.9914 Supporting Reference Compounds 256 E-value 7717.97
Click to view 3D structure	Cholinesterase	P06276	Humans	Predicted (SEA)	Prediction Confidence Score 0.138 Applicability Domain 0.145 Low confidence Statistical Significance 0.9865 Supporting Reference Compounds 234 E-value 7680.06
Click to view 3D structure	Photoreceptor-specific nuclear receptor	Q9Y5X4	Humans	Predicted (SEA)	Prediction Confidence Score 0.137 Applicability Domain 0.164 Low confidence Statistical Significance 0.9624 Supporting Reference Compounds 90 E-value 7492.6
Click to view 3D structure	Sodium-dependent dopamine transporter	P23977	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.136 Applicability Domain 0.146 Low confidence Statistical Significance 0.9614 Supporting Reference Compounds 203 E-value 7484.42
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.135 Applicability Domain 0.146 Low confidence Statistical Significance 0.9982 Supporting Reference Compounds 955 E-value 7770.99
Click to view 3D structure	Muscarinic acetylcholine receptor M5	P08912	Humans	Predicted (SEA)	Prediction Confidence Score 0.135 Applicability Domain 0.148 Low confidence Statistical Significance 0.9939 Supporting Reference Compounds 266 E-value 7737.2