[(z)-tridec-11-enyl] acetate (CED0250449)

Record Information

Version

1.0

Creation Date

2026-08-28 15:33:49 UTC

Update Date

2026-08-28 15:33:49 UTC

SynCED ID

CED0250449

Secondary Accession Numbers

CHEM295025

Identification

Common Name

[(z)-tridec-11-enyl] acetate

Class

Small Molecule

Description

[(z)-tridec-11-enyl] acetate belongs to the fatty alcohol esters, a subclass of fatty acyls within the organic compounds. This compound has the chemical formula C15H28O2 and an average molecular weight of 240.38 g/mol. It is further classified under the superclass of lipids and lipid-like molecules.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₅H₂₈O₂

Average Molecular Mass

Not Available

Monoisotopic Mass

240.209 g/mol

CAS Registry Number

33951-95-0

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC=CCCCCCCCCCCOC(=O)C

InChI Identifier

InChI=1S/C15H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h3-4H,5-14H2,1-2H3/b4-3-

InChI Key

MNOWBWZEFOISCB-ARJAWSKDSA-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
5712.0 Log mg/kg [3200:10000]	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
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
CEDs000596	Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.	Agriculture & land management	Not Available
CEDs000600	Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.	Agriculture & land management	Not Available
CEDs000603	Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.	Agriculture & land management	Not Available
CEDs000604	Pest Attractants?Pest attractants are synthetic chemicals designed to lure specific pests for monitoring or control purposes.	Agriculture & land management	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
CEDs000606	Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.	Agriculture & land management	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	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	Prediction Confidence Score 0.354 Applicability Domain 0.371 Statistical Significance 0.0062 Supporting Reference Compounds 192 E-value 48.5779
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	Prediction Confidence Score 0.354 Applicability Domain 0.371 Statistical Significance 0.0048 Supporting Reference Compounds 127 E-value 37.2898
Click to view 3D structure	Peroxisome proliferator-activated receptor delta	Q03181	Humans	Predicted (SEA)	Prediction Confidence Score 0.349 Applicability Domain 0.371 Statistical Significance 0.0038 Supporting Reference Compounds 89 E-value 29.8941
Click to view 3D structure	Esterase	A3QR02	Chilo suppressalis	Predicted (SEA)	Prediction Confidence Score 0.333 Applicability Domain 0.333 Statistical Significance 2.50e-04 Supporting Reference Compounds 1 E-value 1.94623
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 2	Q9WUD2	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.331 Applicability Domain 0.371 Statistical Significance 0.0015 Supporting Reference Compounds 21 E-value 11.8331
Click to view 3D structure	Cannabinoid receptor 1	P20272	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.312 Applicability Domain 0.371 Statistical Significance 0.0054 Supporting Reference Compounds 83 E-value 42.2721
Click to view 3D structure	Lysophosphatidic acid receptor 3	Q9UBY5	Humans	Predicted (SEA)	Prediction Confidence Score 0.311 Applicability Domain 0.368 Statistical Significance 0.0011 Supporting Reference Compounds 21 E-value 8.48557
Click to view 3D structure	Cytochrome P450 2C23	P24470	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.308 Applicability Domain 0.308 Statistical Significance 1.20e-04 Supporting Reference Compounds 1 E-value 0.934191
Click to view 3D structure	Lysophosphatidic acid receptor 4	Q8BLG2	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.306 Applicability Domain 0.306 Statistical Significance 8.10e-04 Supporting Reference Compounds 1 E-value 6.30579
Click to view 3D structure	Fatty-acid amide hydrolase 1	O00519	Humans	Predicted (SEA)	Prediction Confidence Score 0.297 Applicability Domain 0.371 Statistical Significance 0.0161 Supporting Reference Compounds 106 E-value 125.182
Click to view 3D structure	Fatty-acid amide hydrolase 1	P97612	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.295 Applicability Domain 0.313 Statistical Significance 0.0107 Supporting Reference Compounds 102 E-value 83.4544
Click to view 3D structure	Lysophosphatidic acid receptor 2	Q9HBW0	Humans	Predicted (SEA)	Prediction Confidence Score 0.293 Applicability Domain 0.368 Statistical Significance 0.0013 Supporting Reference Compounds 30 E-value 10.0426
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 1	Q8NER1	Humans	Predicted (SEA)	Prediction Confidence Score 0.292 Applicability Domain 0.31 Statistical Significance 0.0115 Supporting Reference Compounds 104 E-value 89.3709
Click to view 3D structure	Lysophosphatidic acid receptor 1	Q92633	Humans	Predicted (SEA)	Prediction Confidence Score 0.291 Applicability Domain 0.368 Statistical Significance 0.0015 Supporting Reference Compounds 31 E-value 12.0666
Click to view 3D structure	Cannabinoid receptor 1	P21554	Humans	Predicted (SEA)	Prediction Confidence Score 0.29 Applicability Domain 0.31 Statistical Significance 0.0239 Supporting Reference Compounds 200 E-value 185.904
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	Prediction Confidence Score 0.29 Applicability Domain 0.371 Statistical Significance 0.0146 Supporting Reference Compounds 197 E-value 114.049
Click to view 3D structure	Cannabinoid receptor 2	P34972	Humans	Predicted (SEA)	Prediction Confidence Score 0.285 Applicability Domain 0.31 Statistical Significance 0.0217 Supporting Reference Compounds 175 E-value 168.699
Click to view 3D structure	Fatty acid-binding protein, adipocyte	P15090	Humans	Predicted (SEA)	Prediction Confidence Score 0.278 Applicability Domain 0.371 Statistical Significance 0.0018 Supporting Reference Compounds 19 E-value 14.1686
Click to view 3D structure	Free fatty acid receptor 4	Q5NUL3	Humans	Predicted (SEA)	Prediction Confidence Score 0.274 Applicability Domain 0.342 Statistical Significance 0.0118 Supporting Reference Compounds 63 E-value 91.7064
Click to view 3D structure	Free fatty acid receptor 1	O14842	Humans	Predicted (SEA)	Prediction Confidence Score 0.272 Applicability Domain 0.342 Statistical Significance 0.016 Supporting Reference Compounds 56 E-value 124.247
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.271 Applicability Domain 0.375 Statistical Significance 0.068 Supporting Reference Compounds 373 E-value 529.375
Click to view 3D structure	Cannabinoid receptor 2	P47936	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.268 Applicability Domain 0.289 Low confidence Statistical Significance 0.0073 Supporting Reference Compounds 39 E-value 56.5964
Click to view 3D structure	Putative P2Y purinoceptor 10	O00398	Humans	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.309 Statistical Significance 0.0012 Supporting Reference Compounds 10 E-value 9.57545
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	Prediction Confidence Score 0.264 Applicability Domain 0.375 Statistical Significance 0.0896 Supporting Reference Compounds 385 E-value 697.84
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	Prediction Confidence Score 0.264 Applicability Domain 0.375 Statistical Significance 0.0694 Supporting Reference Compounds 310 E-value 540.585