[(e)-dodec-3-enyl] acetate (CED0095275)

Record Information
Version1.0
Creation Date2026-08-19 07:48:42 UTC
Update Date2026-08-19 07:48:42 UTC
SynCED IDCED0095275
Secondary Accession Numbers
  • CHEM181543
Identification
Common Name[(e)-dodec-3-enyl] acetate
ClassSmall Molecule
Description
[(e)-dodec-3-enyl] acetate belongs to the fatty alcohol esters, a subclass of fatty acyls within the organic compounds. This lipid and lipid-like molecule has the chemical formula C14H26O2 and an average molecular weight of 226.35 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC14H26O2
Average Molecular Mass226.350 g/mol
Monoisotopic Mass226.193 g/mol
CAS Registry Number56218-63-4
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h10-11H,3-9,12-13H2,1-2H3/b11-10+
InChI KeyNLVAHXQJCLXFGL-ZHACJKMWSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
7323.0 Log mg/kg [4100:13000]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000010Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.Agriculture & land managementPubChem
CEDs000600Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.Agriculture & land managementPubChem
CEDs000604Pest Attractants?Pest attractants are synthetic chemicals designed to lure specific pests for monitoring or control purposes.Agriculture & land managementPubChem
CEDs000605Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.Agriculture & land managementPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansPredicted (SEA)
Prediction Confidence Score
0.498
Applicability Domain
0.531
Statistical Significance
8.10e-04
Supporting Reference Compounds
192
E-value
6.30579
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)
Prediction Confidence Score
0.498
Applicability Domain
0.531
Statistical Significance
9.90e-04
Supporting Reference Compounds
127
E-value
7.70707
Peroxisome proliferator-activated receptor delta structureClick to view 3D structurePeroxisome proliferator-activated receptor deltaQ03181HumansPredicted (SEA)
Prediction Confidence Score
0.498
Applicability Domain
0.531
Statistical Significance
7.80e-04
Supporting Reference Compounds
89
E-value
6.07224
Transient receptor potential cation channel subfamily V member 2 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 2Q9WUD2Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.472
Applicability Domain
0.531
Statistical Significance
4.20e-04
Supporting Reference Compounds
21
E-value
3.26967
Click to view 3D structureCannabinoid receptor 1P20272Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.447
Applicability Domain
0.531
Statistical Significance
0.0016
Supporting Reference Compounds
83
E-value
12.1445
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)
Prediction Confidence Score
0.423
Applicability Domain
0.531
Statistical Significance
0.0017
Supporting Reference Compounds
106
E-value
13.5458
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)
Prediction Confidence Score
0.419
Applicability Domain
0.531
Statistical Significance
0.0016
Supporting Reference Compounds
197
E-value
12.5337
Click to view 3D structureLysophosphatidic acid receptor 3Q9UBY5HumansPredicted (SEA)
Prediction Confidence Score
0.414
Applicability Domain
0.472
Statistical Significance
2.70e-04
Supporting Reference Compounds
21
E-value
2.10193
Click to view 3D structureLysophosphatidic acid receptor 4Q8BLG2Mus musculusPredicted (SEA)
Prediction Confidence Score
0.413
Applicability Domain
0.413
Statistical Significance
2.20e-04
Supporting Reference Compounds
1
E-value
1.71268
Cannabinoid receptor 1 structureClick to view 3D structureCannabinoid receptor 1P21554HumansPredicted (SEA)
Prediction Confidence Score
0.408
Applicability Domain
0.436
Statistical Significance
0.0029
Supporting Reference Compounds
200
E-value
22.3427
Transient receptor potential cation channel subfamily V member 1 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 1Q8NER1HumansPredicted (SEA)
Prediction Confidence Score
0.408
Applicability Domain
0.436
Statistical Significance
0.0013
Supporting Reference Compounds
104
E-value
10.5096
Fatty-acid amide hydrolase 1 structureClick to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.408
Applicability Domain
0.442
Statistical Significance
0.0016
Supporting Reference Compounds
102
E-value
12.6116
Cannabinoid receptor 2 structureClick to view 3D structureCannabinoid receptor 2P34972HumansPredicted (SEA)
Prediction Confidence Score
0.403
Applicability Domain
0.436
Statistical Significance
0.0027
Supporting Reference Compounds
175
E-value
20.8636
Lysophosphatidic acid receptor 2 structureClick to view 3D structureLysophosphatidic acid receptor 2Q9HBW0HumansPredicted (SEA)
Prediction Confidence Score
0.397
Applicability Domain
0.472
Statistical Significance
3.30e-04
Supporting Reference Compounds
30
E-value
2.56902
Fatty acid-binding protein, adipocyte structureClick to view 3D structureFatty acid-binding protein, adipocyteP15090HumansPredicted (SEA)
Prediction Confidence Score
0.388
Applicability Domain
0.531
Statistical Significance
3.10e-04
Supporting Reference Compounds
19
E-value
2.41333
Lysophosphatidic acid receptor 1 structureClick to view 3D structureLysophosphatidic acid receptor 1Q92633HumansPredicted (SEA)
Prediction Confidence Score
0.387
Applicability Domain
0.472
Statistical Significance
3.80e-04
Supporting Reference Compounds
31
E-value
2.95827
Click to view 3D structureCannabinoid receptor 2P47936Mus musculusPredicted (SEA)
Prediction Confidence Score
0.38
Applicability Domain
0.405
Statistical Significance
0.0015
Supporting Reference Compounds
39
E-value
11.366
Click to view 3D structureCannabinoid receptor 1P47746Mus musculusPredicted (SEA)
Prediction Confidence Score
0.373
Applicability Domain
0.381
Statistical Significance
0.0011
Supporting Reference Compounds
42
E-value
8.71911
Click to view 3D structureCannabinoid receptor 2Q9QZN9Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.366
Applicability Domain
0.405
Statistical Significance
5.00e-04
Supporting Reference Compounds
20
E-value
3.89246
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 structureClick to view 3D structure1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1P08487Bos taurusPredicted (SEA)
Prediction Confidence Score
0.363
Applicability Domain
0.37
Statistical Significance
2.10e-04
Supporting Reference Compounds
3
E-value
1.63483
Click to view 3D structureEsteraseA3QR02Chilo suppressalisPredicted (SEA)
Prediction Confidence Score
0.359
Applicability Domain
0.359
Statistical Significance
1.40e-04
Supporting Reference Compounds
1
E-value
1.08989
Autotaxin structureClick to view 3D structureAutotaxinQ13822HumansPredicted (SEA)
Prediction Confidence Score
0.358
Applicability Domain
0.413
Statistical Significance
9.40e-04
Supporting Reference Compounds
40
E-value
7.31783
Free fatty acid receptor 4 structureClick to view 3D structureFree fatty acid receptor 4Q5NUL3HumansPredicted (SEA)
Prediction Confidence Score
0.35
Applicability Domain
0.486
Statistical Significance
0.0016
Supporting Reference Compounds
63
E-value
12.6894
Transient receptor potential cation channel subfamily V member 1 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 1O35433Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.341
Applicability Domain
0.381
Statistical Significance
8.70e-04
Supporting Reference Compounds
21
E-value
6.77288
Click to view 3D structureLysophosphatidic acid receptor 4Q99677HumansPredicted (SEA)
Prediction Confidence Score
0.34
Applicability Domain
0.413
Statistical Significance
2.40e-04
Supporting Reference Compounds
9
E-value
1.86838
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available