(1R,2S,5R)N,N-Dimethyl menthyl succinamide (CED0139306)

Record Information

Version

1.0

Creation Date

2026-04-06 12:20:15 UTC

Update Date

2026-08-19 17:40:43 UTC

SynCED ID

CED0139306

Secondary Accession Numbers

CHEM124292

Identification

Common Name

(1R,2S,5R)N,N-Dimethyl menthyl succinamide

Class

Small Molecule

Description

(1R,2S,5R)N,N-Dimethyl menthyl succinamide belongs to the monoterpenoids, a subclass of prenol lipids within the organic compounds. It has the chemical formula C16H29N1O3 and an average molecular weight of 283.41 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₆H₂₉N₁O₃

Average Molecular Mass

283.410 g/mol

Monoisotopic Mass

283.215 g/mol

CAS Registry Number

544714-08-1

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C16H29NO3/c1-11(2)13-7-6-12(3)10-14(13)20-16(19)9-8-15(18)17(4)5/h11-14H,6-10H2,1-5H3/t12-,13+,14-/m1/s1

InChI Key

MKWSZTVOJKTLPX-HZSPNIEDSA-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
6498.0 Log mg/kg [3700:12000]	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
CEDs000010	Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.	Agriculture & land management	Not Available
CEDs000518	Electrically Stimulated Smoking Devices?Electrically stimulated smoking devices, commonly known as e-cigarettes or vape pens, utilize electrical components to heat a liquid solution, often containing nicotine, flavorings, and other additives, to produce an aerosol for inhalation.	Electrical & Electronic Equipment	Not Available
CEDs000556	Cigar Cigarettes?Cigar cigarettes are a source of synthetic chemical contamination due to the combustion of various tobacco blends and additives.	Household cleaning & consumer products	Not Available
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
CEDs000569	Tobacco Smoke Filters?Tobacco smoke filters are designed to reduce the inhalation of harmful substances in cigarette smoke, including tar and other particulate matter.	Household cleaning & consumer products	Not Available
CEDs000578	Making Cigars?The process of making cigars involves several steps, including the cultivation of tobacco, fermentation, and the application of various additives to enhance flavor and preservation.	Industrial manufacturing & chemical processing	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
CEDs000605	Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.	Agriculture & land management	Not Available
CEDs000609	Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.	Personal care & cosmetics	Not Available
CEDs000611	Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.	Personal care & cosmetics	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
CEDs000618	Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.	Personal care & cosmetics	Not Available
CEDs000630	Toys?Toys, particularly those made from synthetic materials such as plastics, can be a source of chemical contamination due to the presence of various additives and compounds used in their production.	Recreation & sports surfaces	Not Available
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	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	Transient receptor potential cation channel subfamily A member 1	Q6RI86	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.223 Applicability Domain 0.381 Statistical Significance 0.0377 Supporting Reference Compounds 56 E-value 293.803
Click to view 3D structure	Cholinesterase	P81908	Equus caballus	Predicted (SEA)	Prediction Confidence Score 0.214 Applicability Domain 0.368 Statistical Significance 0.301 Supporting Reference Compounds 201 E-value 2343.57
Click to view 3D structure	Acetylcholinesterase	O42275	Electrophorus electricus	Predicted (SEA)	Prediction Confidence Score 0.206 Applicability Domain 0.368 Statistical Significance 0.3825 Supporting Reference Compounds 206 E-value 2977.97
Click to view 3D structure	Transient receptor potential cation channel subfamily M member 8	Q7Z2W7	Humans	Predicted (SEA)	Prediction Confidence Score 0.204 Applicability Domain 0.381 Statistical Significance 0.1306 Supporting Reference Compounds 43 E-value 1017.1
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.222 Low confidence Statistical Significance 0.6801 Supporting Reference Compounds 385 E-value 5294.29
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P08482	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.222 Low confidence Statistical Significance 0.2915 Supporting Reference Compounds 109 E-value 2269.23
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.222 Low confidence Statistical Significance 0.672 Supporting Reference Compounds 373 E-value 5231.55
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P10980	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.222 Low confidence Statistical Significance 0.1982 Supporting Reference Compounds 98 E-value 1542.82
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	Prediction Confidence Score 0.195 Applicability Domain 0.222 Low confidence Statistical Significance 0.6426 Supporting Reference Compounds 297 E-value 5002.51
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08485	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.222 Low confidence Statistical Significance 0.167 Supporting Reference Compounds 38 E-value 1299.77
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P08483	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.204 Low confidence Statistical Significance 0.191 Supporting Reference Compounds 55 E-value 1486.92
Click to view 3D structure	DNA damage-inducible transcript 3 protein	P35639	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.193 Applicability Domain 0.375 Statistical Significance 0.5714 Supporting Reference Compounds 226 E-value 4448.46
Click to view 3D structure	X-box-binding protein 1	P17861	Humans	Predicted (SEA)	Prediction Confidence Score 0.193 Applicability Domain 0.375 Statistical Significance 0.5725 Supporting Reference Compounds 227 E-value 4457.02
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	Prediction Confidence Score 0.188 Applicability Domain 0.204 Low confidence Statistical Significance 0.7598 Supporting Reference Compounds 310 E-value 5914.98
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.188 Applicability Domain 0.368 Statistical Significance 0.717 Supporting Reference Compounds 472 E-value 5582.02
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.188 Applicability Domain 0.368 Statistical Significance 0.6659 Supporting Reference Compounds 407 E-value 5183.98
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	Prediction Confidence Score 0.185 Applicability Domain 0.237 Low confidence Statistical Significance 0.4631 Supporting Reference Compounds 197 E-value 3605.28
Click to view 3D structure	Orexin receptor type 2	O43614	Humans	Predicted (SEA)	Prediction Confidence Score 0.183 Applicability Domain 0.375 Statistical Significance 0.4335 Supporting Reference Compounds 45 E-value 3374.92
Click to view 3D structure	Muscarinic acetylcholine receptor M5	P08912	Humans	Predicted (SEA)	Prediction Confidence Score 0.181 Applicability Domain 0.191 Low confidence Statistical Significance 0.8001 Supporting Reference Compounds 266 E-value 6228.72
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.18 Applicability Domain 0.206 Low confidence Statistical Significance 0.9788 Supporting Reference Compounds 1498 E-value 7620.19
Click to view 3D structure	HTH-type quorum-sensing regulator RhlR	P54292	Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228)	Predicted (SEA)	Prediction Confidence Score 0.18 Applicability Domain 0.18 Low confidence Statistical Significance 0.0128 Supporting Reference Compounds 1 E-value 99.9584
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	Prediction Confidence Score 0.18 Applicability Domain 0.188 Low confidence Statistical Significance 0.9199 Supporting Reference Compounds 506 E-value 7161.66
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	Prediction Confidence Score 0.18 Applicability Domain 0.188 Low confidence Statistical Significance 0.899 Supporting Reference Compounds 451 E-value 6999.03
Click to view 3D structure	Orexin/Hypocretin receptor type 1	O43613	Humans	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.375 Statistical Significance 0.5776 Supporting Reference Compounds 70 E-value 4496.26
Click to view 3D structure	Sodium-dependent dopamine transporter	P23977	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.178 Applicability Domain 0.206 Low confidence Statistical Significance 0.579 Supporting Reference Compounds 203 E-value 4507.31