[(z)-non-3-enyl] (e)-hex-2-enoate (CED0250326)

Record Information
Version1.0
Creation Date2026-08-28 15:24:47 UTC
Update Date2026-08-28 15:24:47 UTC
SynCED IDCED0250326
Secondary Accession Numbers
  • CHEM294900
Identification
Common Name[(z)-non-3-enyl] (e)-hex-2-enoate
ClassSmall Molecule
Description
[(z)-non-3-enyl] (e)-hex-2-enoate belongs to the fatty alcohol esters, a subclass of fatty acyls within the organic compounds. This lipid-like molecule has the chemical formula C15H26O2 and an average molecular weight of 238.37 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC15H26O2
Average Molecular MassNot Available
Monoisotopic Mass238.193 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCCCCC=CCCOC(=O)C=CCCC
InChI IdentifierInChI=1S/C15H26O2/c1-3-5-7-8-9-10-12-14-17-15(16)13-11-6-4-2/h9-11,13H,3-8,12,14H2,1-2H3/b10-9-,13-11+
InChI KeyZBOHTTYDVIINPB-AZQRDTPRSA-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
6097.0 Log mg/kg [3400:11000]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
CEDs000600Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.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
0.426
Applicability Domain
0.444
Statistical Significance
0.0024
Supporting Reference Compounds
192
E-value
18.606
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)
Prediction Confidence Score
0.426
Applicability Domain
0.444
Statistical Significance
0.0021
Supporting Reference Compounds
127
E-value
16.1148
Peroxisome proliferator-activated receptor delta structureClick to view 3D structurePeroxisome proliferator-activated receptor deltaQ03181HumansPredicted (SEA)
Prediction Confidence Score
0.426
Applicability Domain
0.444
Statistical Significance
0.0014
Supporting Reference Compounds
89
E-value
10.8989
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
0.408
Applicability Domain
0.444
Statistical Significance
8.70e-04
Supporting Reference Compounds
21
E-value
6.77288
Click to view 3D structureCannabinoid receptor 1P20272Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.4
Applicability Domain
0.444
Statistical Significance
0.0022
Supporting Reference Compounds
83
E-value
17.5161
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)
Prediction Confidence Score
0.384
Applicability Domain
0.444
Statistical Significance
0.0028
Supporting Reference Compounds
106
E-value
22.0313
Fatty-acid amide hydrolase 1 structureClick to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.374
Applicability Domain
0.413
Statistical Significance
0.0023
Supporting Reference Compounds
102
E-value
18.1389
Cannabinoid receptor 1 structureClick to view 3D structureCannabinoid receptor 1P21554HumansPredicted (SEA)
Prediction Confidence Score
0.363
Applicability Domain
0.378
Statistical Significance
0.0047
Supporting Reference Compounds
200
E-value
36.3556
Cannabinoid receptor 2 structureClick to view 3D structureCannabinoid receptor 2P34972HumansPredicted (SEA)
Prediction Confidence Score
0.363
Applicability Domain
0.378
Statistical Significance
0.0043
Supporting Reference Compounds
175
E-value
33.8644
Click to view 3D structureLysophosphatidic acid receptor 4Q8BLG2Mus musculusPredicted (SEA)
Prediction Confidence Score
0.36
Applicability Domain
0.36
Statistical Significance
3.90e-04
Supporting Reference Compounds
1
E-value
3.03612
Click to view 3D structureCannabinoid receptor 2P47936Mus musculusPredicted (SEA)
Prediction Confidence Score
0.36
Applicability Domain
0.378
Statistical Significance
0.0017
Supporting Reference Compounds
39
E-value
13.5458
Click to view 3D structureLysophosphatidic acid receptor 3Q9UBY5HumansPredicted (SEA)
Prediction Confidence Score
0.359
Applicability Domain
0.4
Statistical Significance
5.00e-04
Supporting Reference Compounds
21
E-value
3.89246
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
0.357
Applicability Domain
0.372
Statistical Significance
0.0029
Supporting Reference Compounds
104
E-value
22.732
Click to view 3D structureCannabinoid receptor 1P47746Mus musculusPredicted (SEA)
Prediction Confidence Score
0.354
Applicability Domain
0.37
Statistical Significance
0.0015
Supporting Reference Compounds
42
E-value
11.366
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)
Prediction Confidence Score
0.344
Applicability Domain
0.444
Statistical Significance
0.0038
Supporting Reference Compounds
197
E-value
29.5827
Lysophosphatidic acid receptor 2 structureClick to view 3D structureLysophosphatidic acid receptor 2Q9HBW0HumansPredicted (SEA)
Prediction Confidence Score
0.344
Applicability Domain
0.4
Statistical Significance
5.70e-04
Supporting Reference Compounds
30
E-value
4.43741
Click to view 3D structureCannabinoid receptor 2Q9QZN9Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.343
Applicability Domain
0.378
Statistical Significance
5.90e-04
Supporting Reference Compounds
20
E-value
4.5931
Lysophosphatidic acid receptor 1 structureClick to view 3D structureLysophosphatidic acid receptor 1Q92633HumansPredicted (SEA)
Prediction Confidence Score
0.337
Applicability Domain
0.4
Statistical Significance
7.80e-04
Supporting Reference Compounds
31
E-value
6.07224
Fatty acid-binding protein, adipocyte structureClick to view 3D structureFatty acid-binding protein, adipocyteP15090HumansPredicted (SEA)
Prediction Confidence Score
0.336
Applicability Domain
0.444
Statistical Significance
6.10e-04
Supporting Reference Compounds
19
E-value
4.7488
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
0.321
Applicability Domain
0.356
Statistical Significance
0.0012
Supporting Reference Compounds
21
E-value
9.57545
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
0.313
Applicability Domain
0.32
Statistical Significance
6.60e-04
Supporting Reference Compounds
3
E-value
5.13805
Autotaxin structureClick to view 3D structureAutotaxinQ13822HumansPredicted (SEA)
Prediction Confidence Score
0.312
Applicability Domain
0.36
Statistical Significance
0.0014
Supporting Reference Compounds
40
E-value
10.821
Free fatty acid receptor 4 structureClick to view 3D structureFree fatty acid receptor 4Q5NUL3HumansPredicted (SEA)
Prediction Confidence Score
0.302
Applicability Domain
0.41
Statistical Significance
0.0051
Supporting Reference Compounds
63
E-value
39.7031
Click to view 3D structureEsteraseA3QR02Chilo suppressalisPredicted (SEA)
Prediction Confidence Score
0.302
Applicability Domain
0.302
Statistical Significance
3.70e-04
Supporting Reference Compounds
1
E-value
2.88042
Putative P2Y purinoceptor 10 structureClick to view 3D structurePutative P2Y purinoceptor 10O00398HumansPredicted (SEA)
Prediction Confidence Score
0.299
Applicability Domain
0.333
Statistical Significance
6.70e-04
Supporting Reference Compounds
10
E-value
5.2159
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available