(1A,2a,3a,5ß)-1,2,3,5-tetramethylcyclohexane (CED0136634)

Record Information

Version

1.0

Creation Date

2026-04-04 22:13:48 UTC

Update Date

2026-08-18 02:52:51 UTC

SynCED ID

CED0136634

Secondary Accession Numbers

CHEM083327

Identification

Common Name

(1A,2a,3a,5ß)-1,2,3,5-tetramethylcyclohexane

Class

Small Molecule

Description

(1A,2a,3a,5ß)-1,2,3,5-tetramethylcyclohexane belongs to the cycloalkanes, a subclass of saturated hydrocarbons within the organic compounds. This hydrocarbon has the chemical formula C10H20 and an average molecular weight of 140.27 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₀H₂₀

Average Molecular Mass

140.270 g/mol

Monoisotopic Mass

140.157 g/mol

CAS Registry Number

3726-36-1

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1/C10H20/c1-7-5-8(2)10(4)9(3)6-7/h7-10H,5-6H2,1-4H3

InChI Key

HLPYGMSCWOQRJN-MSLAYNRJSA-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
5921.0 Log mg/kg [3300:11000]	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	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	PubChem
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	PubChem
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	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	Spermidine synthase	Q6QA75	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.25 Low confidence Statistical Significance 3.00e-05 Supporting Reference Compounds 1 E-value 0.233548
Click to view 3D structure	Spermidine synthase	Q4CXJ6	Trypanosoma cruzi (strain CL Brener)	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.25 Low confidence Statistical Significance 3.00e-05 Supporting Reference Compounds 1 E-value 0.233548
Click to view 3D structure	Spermidine synthase	Q9NFS5	Plasmodium falciparum	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.25 Low confidence Statistical Significance 3.00e-05 Supporting Reference Compounds 1 E-value 0.233548
Click to view 3D structure	Threonyl-tRNA synthase	G3FIN0	Phytophthora sojae	Predicted (SEA)	Prediction Confidence Score 0.145 Applicability Domain 0.145 Low confidence Statistical Significance 0.0081 Supporting Reference Compounds 1 E-value 63.0579
Click to view 3D structure	Alpha-1,2-mannosidase (BT_3990)	Q8A0N1	Bacteroides thetaiotaomicron	Predicted (SEA)	Prediction Confidence Score 0.133 Applicability Domain 0.133 Low confidence Statistical Significance 0.0106 Supporting Reference Compounds 1 E-value 82.3645
Click to view 3D structure	Hemagglutinin	P03438	Influenza A virus (strain A/X-31 H3N2)	Predicted (SEA)	Prediction Confidence Score 0.13 Applicability Domain 0.13 Low confidence Statistical Significance 0.0804 Supporting Reference Compounds 1 E-value 625.674
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.129 Applicability Domain 0.167 Low confidence Statistical Significance 0.9976 Supporting Reference Compounds 373 E-value 7766.16
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	Prediction Confidence Score 0.129 Applicability Domain 0.167 Low confidence Statistical Significance 0.9966 Supporting Reference Compounds 297 E-value 7758.14
Click to view 3D structure	Plasma alpha-L-fucosidase	Q9BTY2	Humans	Predicted (SEA)	Prediction Confidence Score 0.129 Applicability Domain 0.154 Low confidence Statistical Significance 0.0014 Supporting Reference Compounds 2 E-value 10.821
Click to view 3D structure	DNA damage-inducible transcript 3 protein	P35639	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.126 Applicability Domain 0.175 Low confidence Statistical Significance 0.9901 Supporting Reference Compounds 226 E-value 7708.01
Click to view 3D structure	X-box-binding protein 1	P17861	Humans	Predicted (SEA)	Prediction Confidence Score 0.126 Applicability Domain 0.175 Low confidence Statistical Significance 0.9901 Supporting Reference Compounds 227 E-value 7708.24
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	Prediction Confidence Score 0.124 Applicability Domain 0.167 Low confidence Statistical Significance 0.9984 Supporting Reference Compounds 385 E-value 7772.62
Click to view 3D structure	Alpha-galactosidase	Q5DUH8	Coffea arabica	Predicted (SEA)	Prediction Confidence Score 0.121 Applicability Domain 0.121 Low confidence Statistical Significance 0.007 Supporting Reference Compounds 1 E-value 54.1831
Click to view 3D structure	Nicotinic acetylcholine receptor alpha1 subunit	O46128	Heliothis virescens	Predicted (SEA)	Prediction Confidence Score 0.121 Applicability Domain 0.121 Low confidence Statistical Significance 0.1828 Supporting Reference Compounds 1 E-value 1423.4
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P08482	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.121 Applicability Domain 0.167 Low confidence Statistical Significance 0.9881 Supporting Reference Compounds 109 E-value 7692.13
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P10980	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.121 Applicability Domain 0.167 Low confidence Statistical Significance 0.9824 Supporting Reference Compounds 98 E-value 7647.75
Click to view 3D structure	Nitric oxide synthase 3	P29474	Humans	Predicted (SEA)	Prediction Confidence Score 0.121 Applicability Domain 0.161 Low confidence Statistical Significance 0.9269 Supporting Reference Compounds 36 E-value 7215.77
Click to view 3D structure	Tissue alpha-L-fucosidase	P04066	Humans	Predicted (SEA)	Prediction Confidence Score 0.12 Applicability Domain 0.206 Low confidence Statistical Significance 0.1227 Supporting Reference Compounds 8 E-value 955.366
Click to view 3D structure	Transient receptor potential cation channel subfamily A member 1	Q6RI86	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.119 Applicability Domain 0.222 Low confidence Statistical Significance 0.9809 Supporting Reference Compounds 56 E-value 7635.92
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08485	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.119 Applicability Domain 0.167 Low confidence Statistical Significance 0.9794 Supporting Reference Compounds 38 E-value 7624.86
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	Prediction Confidence Score 0.118 Applicability Domain 0.136 Low confidence Statistical Significance 0.9993 Supporting Reference Compounds 562 E-value 7779.86
Click to view 3D structure	Heat shock factor protein 1	P38532	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.117 Applicability Domain 0.175 Low confidence Statistical Significance 0.9953 Supporting Reference Compounds 166 E-value 7748.02
Click to view 3D structure	Alpha-mannosidase 2C1	P21139	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.117 Applicability Domain 0.133 Low confidence Statistical Significance 0.0054 Supporting Reference Compounds 2 E-value 41.7272
Click to view 3D structure	Transient receptor potential cation channel subfamily M member 8	Q7Z2W7	Humans	Predicted (SEA)	Prediction Confidence Score 0.116 Applicability Domain 0.222 Low confidence Statistical Significance 0.9841 Supporting Reference Compounds 43 E-value 7661.45
Click to view 3D structure	Nitric oxide synthase, inducible	P29477	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.116 Applicability Domain 0.161 Low confidence Statistical Significance 0.9769 Supporting Reference Compounds 47 E-value 7605.4