[(z)-tridec-8-enyl] acetate (CED0250451)

Record Information
Version1.0
Creation Date2026-08-28 15:33:59 UTC
Update Date2026-08-28 15:33:59 UTC
SynCED IDCED0250451
Secondary Accession Numbers
  • CHEM295027
Identification
Common Name[(z)-tridec-8-enyl] acetate
ClassSmall Molecule
Description
[(z)-tridec-8-enyl] acetate belongs to the fatty alcohol esters, a subclass of fatty acyls within the organic compounds. This lipid-like molecule has the formula C15H28O2 and an average molecular weight of 240.38 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC15H28O2
Average Molecular MassNot Available
Monoisotopic Mass240.209 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCCCC=CCCCCCCCOC(=O)C
InChI IdentifierInChI=1S/C15H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h6-7H,3-5,8-14H2,1-2H3/b7-6-
InChI KeyPXLZBHTYUDYDTH-SREVYHEPSA-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
6929.0 Log mg/kg [3900:12000]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 EffectRelationshipDirectionReference
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 managementNot Available
CEDs000600Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.Agriculture & land managementNot Available
CEDs000604Pest Attractants?Pest attractants are synthetic chemicals designed to lure specific pests for monitoring or control purposes.Agriculture & land managementNot Available
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
0.455
Applicability Domain
0.485
Statistical Significance
0.0016
Supporting Reference Compounds
192
E-value
12.8451
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)
Prediction Confidence Score
0.455
Applicability Domain
0.485
Statistical Significance
0.0015
Supporting Reference Compounds
127
E-value
11.6774
Peroxisome proliferator-activated receptor delta structureClick to view 3D structurePeroxisome proliferator-activated receptor deltaQ03181HumansPredicted (SEA)
Prediction Confidence Score
0.455
Applicability Domain
0.485
Statistical Significance
0.0011
Supporting Reference Compounds
89
E-value
8.64126
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
0.432
Applicability Domain
0.485
Statistical Significance
7.00e-04
Supporting Reference Compounds
21
E-value
5.44945
Click to view 3D structureCannabinoid receptor 1P20272Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.41
Applicability Domain
0.485
Statistical Significance
0.0021
Supporting Reference Compounds
83
E-value
16.3483
Click to view 3D structureLysophosphatidic acid receptor 3Q9UBY5HumansPredicted (SEA)
Prediction Confidence Score
0.408
Applicability Domain
0.559
Statistical Significance
2.90e-04
Supporting Reference Compounds
21
E-value
2.25763
Lysophosphatidic acid receptor 2 structureClick to view 3D structureLysophosphatidic acid receptor 2Q9HBW0HumansPredicted (SEA)
Prediction Confidence Score
0.394
Applicability Domain
0.559
Statistical Significance
3.50e-04
Supporting Reference Compounds
30
E-value
2.72472
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)
Prediction Confidence Score
0.388
Applicability Domain
0.485
Statistical Significance
0.0027
Supporting Reference Compounds
106
E-value
21.4085
Lysophosphatidic acid receptor 1 structureClick to view 3D structureLysophosphatidic acid receptor 1Q92633HumansPredicted (SEA)
Prediction Confidence Score
0.384
Applicability Domain
0.559
Statistical Significance
4.00e-04
Supporting Reference Compounds
31
E-value
3.11397
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
0.383
Applicability Domain
0.405
Statistical Significance
0.0018
Supporting Reference Compounds
104
E-value
14.4021
Click to view 3D structureLysophosphatidic acid receptor 4Q8BLG2Mus musculusPredicted (SEA)
Prediction Confidence Score
0.383
Applicability Domain
0.383
Statistical Significance
3.30e-04
Supporting Reference Compounds
1
E-value
2.56902
Cannabinoid receptor 1 structureClick to view 3D structureCannabinoid receptor 1P21554HumansPredicted (SEA)
Prediction Confidence Score
0.381
Applicability Domain
0.405
Statistical Significance
0.0036
Supporting Reference Compounds
200
E-value
28.3371
Cannabinoid receptor 2 structureClick to view 3D structureCannabinoid receptor 2P34972HumansPredicted (SEA)
Prediction Confidence Score
0.378
Applicability Domain
0.405
Statistical Significance
0.0036
Supporting Reference Compounds
175
E-value
28.0257
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)
Prediction Confidence Score
0.376
Applicability Domain
0.485
Statistical Significance
0.0024
Supporting Reference Compounds
197
E-value
19.0731
Fatty-acid amide hydrolase 1 structureClick to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.375
Applicability Domain
0.409
Statistical Significance
0.0023
Supporting Reference Compounds
102
E-value
17.9832
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
Fatty acid-binding protein, adipocyte structureClick to view 3D structureFatty acid-binding protein, adipocyteP15090HumansPredicted (SEA)
Prediction Confidence Score
0.354
Applicability Domain
0.485
Statistical Significance
5.10e-04
Supporting Reference Compounds
19
E-value
3.97031
Click to view 3D structureCannabinoid receptor 2P47936Mus musculusPredicted (SEA)
Prediction Confidence Score
0.349
Applicability Domain
0.372
Statistical Significance
0.0019
Supporting Reference Compounds
39
E-value
14.6357
Click to view 3D structureCannabinoid receptor 1P47746Mus musculusPredicted (SEA)
Prediction Confidence Score
0.345
Applicability Domain
0.356
Statistical Significance
0.0016
Supporting Reference Compounds
42
E-value
12.1445
Click to view 3D structureCannabinoid receptor 2Q9QZN9Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.336
Applicability Domain
0.372
Statistical Significance
6.30e-04
Supporting Reference Compounds
20
E-value
4.9045
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
0.333
Applicability Domain
0.34
Statistical Significance
4.00e-04
Supporting Reference Compounds
3
E-value
3.11397
Autotaxin structureClick to view 3D structureAutotaxinQ13822HumansPredicted (SEA)
Prediction Confidence Score
0.331
Applicability Domain
0.383
Statistical Significance
0.0012
Supporting Reference Compounds
40
E-value
9.03051
Free fatty acid receptor 4 structureClick to view 3D structureFree fatty acid receptor 4Q5NUL3HumansPredicted (SEA)
Prediction Confidence Score
0.327
Applicability Domain
0.444
Statistical Significance
0.0027
Supporting Reference Compounds
63
E-value
20.8636
Putative P2Y purinoceptor 10 structureClick to view 3D structurePutative P2Y purinoceptor 10O00398HumansPredicted (SEA)
Prediction Confidence Score
0.327
Applicability Domain
0.377
Statistical Significance
5.00e-04
Supporting Reference Compounds
10
E-value
3.89246
Click to view 3D structureLysophosphatidic acid receptor 4Q99677HumansPredicted (SEA)
Prediction Confidence Score
0.318
Applicability Domain
0.383
Statistical Significance
3.40e-04
Supporting Reference Compounds
9
E-value
2.64687
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available