[(z)-dodec-7-enyl] propanoate (CED0250453)

Record Information
Version1.0
Creation Date2026-08-28 15:34:08 UTC
Update Date2026-08-28 15:34:08 UTC
SynCED IDCED0250453
Secondary Accession Numbers
  • CHEM295029
Identification
Common Name[(z)-dodec-7-enyl] propanoate
ClassSmall Molecule
Description
[(z)-dodec-7-enyl] propanoate 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=CCCCCCCOC(=O)CC
InChI IdentifierInChI=1S/C15H28O2/c1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2/h7-8H,3-6,9-14H2,1-2H3/b8-7-
InChI KeyWQUKYJNIYAHZCX-FPLPWBNLSA-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
6457.0 Log mg/kg [3600:11000]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
CEDs000604Pest Attractants?Pest attractants are synthetic chemicals designed to lure specific pests for monitoring or control purposes.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
0.442
Applicability Domain
0.471
Statistical Significance
0.0019
Supporting Reference Compounds
192
E-value
15.1806
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)
Prediction Confidence Score
0.442
Applicability Domain
0.471
Statistical Significance
0.0017
Supporting Reference Compounds
127
E-value
13.2344
Peroxisome proliferator-activated receptor delta structureClick to view 3D structurePeroxisome proliferator-activated receptor deltaQ03181HumansPredicted (SEA)
Prediction Confidence Score
0.442
Applicability Domain
0.471
Statistical Significance
0.0012
Supporting Reference Compounds
89
E-value
9.6533
Click to view 3D structureLysophosphatidic acid receptor 3Q9UBY5HumansPredicted (SEA)
Prediction Confidence Score
0.421
Applicability Domain
0.543
Statistical Significance
2.70e-04
Supporting Reference Compounds
21
E-value
2.10193
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
0.42
Applicability Domain
0.471
Statistical Significance
7.80e-04
Supporting Reference Compounds
21
E-value
6.07224
Click to view 3D structureCannabinoid receptor 1P20272Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.406
Applicability Domain
0.471
Statistical Significance
0.0021
Supporting Reference Compounds
83
E-value
16.6597
Click to view 3D structureLysophosphatidic acid receptor 4Q8BLG2Mus musculusPredicted (SEA)
Prediction Confidence Score
0.404
Applicability Domain
0.404
Statistical Significance
2.40e-04
Supporting Reference Compounds
1
E-value
1.86838
Lysophosphatidic acid receptor 2 structureClick to view 3D structureLysophosphatidic acid receptor 2Q9HBW0HumansPredicted (SEA)
Prediction Confidence Score
0.401
Applicability Domain
0.543
Statistical Significance
3.20e-04
Supporting Reference Compounds
30
E-value
2.49118
Lysophosphatidic acid receptor 1 structureClick to view 3D structureLysophosphatidic acid receptor 1Q92633HumansPredicted (SEA)
Prediction Confidence Score
0.395
Applicability Domain
0.543
Statistical Significance
3.70e-04
Supporting Reference Compounds
31
E-value
2.88042
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)
Prediction Confidence Score
0.384
Applicability Domain
0.471
Statistical Significance
0.0028
Supporting Reference Compounds
106
E-value
22.1092
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
0.38
Applicability Domain
0.404
Statistical Significance
0.0019
Supporting Reference Compounds
104
E-value
14.9471
Cannabinoid receptor 1 structureClick to view 3D structureCannabinoid receptor 1P21554HumansPredicted (SEA)
Prediction Confidence Score
0.379
Applicability Domain
0.395
Statistical Significance
0.0038
Supporting Reference Compounds
200
E-value
29.5827
Cannabinoid receptor 2 structureClick to view 3D structureCannabinoid receptor 2P34972HumansPredicted (SEA)
Prediction Confidence Score
0.376
Applicability Domain
0.395
Statistical Significance
0.0037
Supporting Reference Compounds
175
E-value
29.1156
Fatty-acid amide hydrolase 1 structureClick to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.375
Applicability Domain
0.4
Statistical Significance
0.0023
Supporting Reference Compounds
102
E-value
17.9832
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)
Prediction Confidence Score
0.365
Applicability Domain
0.471
Statistical Significance
0.0028
Supporting Reference Compounds
197
E-value
22.187
Putative P2Y purinoceptor 10 structureClick to view 3D structurePutative P2Y purinoceptor 10O00398HumansPredicted (SEA)
Prediction Confidence Score
0.359
Applicability Domain
0.423
Statistical Significance
3.40e-04
Supporting Reference Compounds
10
E-value
2.64687
Click to view 3D structureEsteraseA3QR02Chilo suppressalisPredicted (SEA)
Prediction Confidence Score
0.35
Applicability Domain
0.35
Statistical Significance
1.50e-04
Supporting Reference Compounds
1
E-value
1.16774
Click to view 3D structureCannabinoid receptor 2P47936Mus musculusPredicted (SEA)
Prediction Confidence Score
0.347
Applicability Domain
0.395
Statistical Significance
0.0019
Supporting Reference Compounds
39
E-value
14.7914
Fatty acid-binding protein, adipocyte structureClick to view 3D structureFatty acid-binding protein, adipocyteP15090HumansPredicted (SEA)
Prediction Confidence Score
0.344
Applicability Domain
0.471
Statistical Significance
5.50e-04
Supporting Reference Compounds
19
E-value
4.28171
UDP-3-O-acyl-N-acetylglucosamine deacetylase structureClick to view 3D structureUDP-3-O-acyl-N-acetylglucosamine deacetylaseO67648Aquifex aeolicus (strain VF5)Predicted (SEA)
Prediction Confidence Score
0.341
Applicability Domain
0.341
Statistical Significance
0.0019
Supporting Reference Compounds
1
E-value
14.7135
Click to view 3D structureCannabinoid receptor 1P47746Mus musculusPredicted (SEA)
Prediction Confidence Score
0.338
Applicability Domain
0.348
Statistical Significance
0.0018
Supporting Reference Compounds
42
E-value
14.0129
Probable G-protein coupled receptor 34 structureClick to view 3D structureProbable G-protein coupled receptor 34Q9UPC5HumansPredicted (SEA)
Prediction Confidence Score
0.337
Applicability Domain
0.423
Statistical Significance
3.40e-04
Supporting Reference Compounds
11
E-value
2.64687
Autotaxin structureClick to view 3D structureAutotaxinQ13822HumansPredicted (SEA)
Prediction Confidence Score
0.336
Applicability Domain
0.404
Statistical Significance
0.0011
Supporting Reference Compounds
40
E-value
8.64126
Click to view 3D structureCannabinoid receptor 2Q9QZN9Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.335
Applicability Domain
0.395
Statistical Significance
6.40e-04
Supporting Reference Compounds
20
E-value
4.98235
Platelet glycoprotein 4 structureClick to view 3D structurePlatelet glycoprotein 4P16671HumansPredicted (SEA)
Prediction Confidence Score
0.333
Applicability Domain
0.333
Statistical Significance
2.00e-04
Supporting Reference Compounds
1
E-value
1.55698
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available