(Trans(Trans))-4'-vinyl-4-(4-methylphenyl)bicyclohexyl (CED0184179)

Record Information

Version

1.0

Creation Date

2026-04-05 16:49:24 UTC

Update Date

2026-08-21 19:53:00 UTC

SynCED ID

CED0184179

Secondary Accession Numbers

CHEM104675

Identification

Common Name

(Trans(Trans))-4'-vinyl-4-(4-methylphenyl)bicyclohexyl

Class

Small Molecule

Description

(Trans(Trans))-4'-vinyl-4-(4-methylphenyl)bicyclohexyl belongs to the toluenes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C21H30 and an average molecular weight of 282.47 g/mol. It has been found in or released from antennas (Electrical & Electronic Equipment) and drinking water (Drinking water & water supply). The recorded exposure route for this substance is oral.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₁H₃₀

Average Molecular Mass

282.471 g/mol

Monoisotopic Mass

282.235 g/mol

CAS Registry Number

155041-85-3

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

[H][C@@]1(CC[C@@]([H])(CC1)[C@@]1([H])CC[C@@]([H])(CC1)C1=CC=C(C)C=C1)C=C

InChI Identifier

InChI=1S/C21H30/c1-3-17-6-10-19(11-7-17)21-14-12-20(13-15-21)18-8-4-16(2)5-9-18/h3-5,8-9,17,19-21H,1,6-7,10-15H2,2H3/t17-,19-,20-,21-

InChI Key

BCUMFFLWJNKNOU-YSXIEMCBSA-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

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	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000115	Drinking water?Drinking water can be a medium for synthetic chemical contamination, often originating from various industrial processes and agricultural practices.	Drinking water & water supply	Not Available
CEDs000506	Antennas?Antennas, commonly used in communication technologies, can be a source of synthetic chemical contamination through the materials and coatings used in their construction.	Electrical & Electronic Equipment	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	PubChem

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	O-acyltransferase	A0A8I3N393	Canis lupus familiaris	Predicted (SEA)	Prediction Confidence Score 0.241 Applicability Domain 0.241 Low confidence Statistical Significance 0.002 Supporting Reference Compounds 1 E-value 15.8812
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q9R0C9	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.232 Applicability Domain 0.239 Low confidence Statistical Significance 0.1316 Supporting Reference Compounds 207 E-value 1024.5
Click to view 3D structure	Vesicular acetylcholine transporter	Q16572	Humans	Predicted (SEA)	Prediction Confidence Score 0.231 Applicability Domain 0.239 Low confidence Statistical Significance 0.0207 Supporting Reference Compounds 23 E-value 160.836
Click to view 3D structure	Vesicular acetylcholine transporter	Q62666	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.227 Applicability Domain 0.239 Low confidence Statistical Significance 0.0169 Supporting Reference Compounds 21 E-value 131.799
Click to view 3D structure	Vesicular acetylcholine transporter	P81721	Torpedo californica	Predicted (SEA)	Prediction Confidence Score 0.227 Applicability Domain 0.239 Low confidence Statistical Significance 0.0088 Supporting Reference Compounds 10 E-value 68.663
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	Prediction Confidence Score 0.213 Applicability Domain 0.239 Low confidence Statistical Significance 0.5829 Supporting Reference Compounds 562 E-value 4537.68
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.21 Applicability Domain 0.25 Low confidence Statistical Significance 0.7284 Supporting Reference Compounds 1103 E-value 5670.46
Click to view 3D structure	D(2) dopamine receptor	P61169	Rat	Predicted (SEA)	Prediction Confidence Score 0.209 Applicability Domain 0.22 Low confidence Statistical Significance 0.5024 Supporting Reference Compounds 528 E-value 3911.53
Click to view 3D structure	Fibroblast growth factor 23	Q9GZV9	Humans	Predicted (SEA)	Prediction Confidence Score 0.208 Applicability Domain 0.208 Low confidence Statistical Significance 7.00e-04 Supporting Reference Compounds 1 E-value 5.44945
Click to view 3D structure	Diacylglycerol O-acyltransferase 1	O75907	Humans	Predicted (SEA)	Prediction Confidence Score 0.205 Applicability Domain 0.241 Low confidence Statistical Significance 0.166 Supporting Reference Compounds 44 E-value 1292.3
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	Prediction Confidence Score 0.205 Applicability Domain 0.245 Low confidence Statistical Significance 0.6818 Supporting Reference Compounds 593 E-value 5308.15
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.203 Applicability Domain 0.211 Low confidence Statistical Significance 0.9352 Supporting Reference Compounds 1498 E-value 7280.69
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	Prediction Confidence Score 0.202 Applicability Domain 0.245 Low confidence Statistical Significance 0.6628 Supporting Reference Compounds 451 E-value 5160.24
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	Prediction Confidence Score 0.202 Applicability Domain 0.245 Low confidence Statistical Significance 0.7296 Supporting Reference Compounds 506 E-value 5680.19
Click to view 3D structure	Sodium-dependent dopamine transporter	P23977	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.201 Applicability Domain 0.224 Low confidence Statistical Significance 0.3053 Supporting Reference Compounds 203 E-value 2376.74
Click to view 3D structure	Diacylglycerol O-acyltransferase 1	Q9Z2A7	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.201 Applicability Domain 0.241 Low confidence Statistical Significance 0.0858 Supporting Reference Compounds 19 E-value 667.791
Click to view 3D structure	Chemokine receptor	Q9MYJ9	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.2 Low confidence Statistical Significance 0.0834 Supporting Reference Compounds 1 E-value 649.263
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.199 Applicability Domain 0.22 Low confidence Statistical Significance 0.6629 Supporting Reference Compounds 541 E-value 5160.7
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.199 Applicability Domain 0.22 Low confidence Statistical Significance 0.8348 Supporting Reference Compounds 955 E-value 6498.7
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	Prediction Confidence Score 0.199 Applicability Domain 0.207 Low confidence Statistical Significance 0.8013 Supporting Reference Compounds 861 E-value 6237.82
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q60492	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.199 Applicability Domain 0.239 Low confidence Statistical Significance 0.4622 Supporting Reference Compounds 229 E-value 3598.04
Click to view 3D structure	Sterol O-acyltransferase 2	O75908	Humans	Predicted (SEA)	Prediction Confidence Score 0.195 Applicability Domain 0.241 Low confidence Statistical Significance 0.0555 Supporting Reference Compounds 19 E-value 431.907
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.212 Low confidence Statistical Significance 0.9445 Supporting Reference Compounds 1130 E-value 7352.55
Click to view 3D structure	Sodium-dependent serotonin transporter	P31652	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.245 Low confidence Statistical Significance 0.5543 Supporting Reference Compounds 297 E-value 4315.1
Click to view 3D structure	Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase	Q9BHT9	Plasmodium berghei	Predicted (SEA)	Prediction Confidence Score 0.193 Applicability Domain 0.237 Low confidence Statistical Significance 0.2703 Supporting Reference Compounds 105 E-value 2104.34