Icosan-9-yl docosanoate (CED0153901)

Record Information
Version1.0
Creation Date2026-08-22 14:29:46 UTC
Update Date2026-08-22 14:29:46 UTC
SynCED IDCED0153901
Secondary Accession Numbers
  • CHEM216483
Identification
Common NameIcosan-9-yl docosanoate
ClassSmall Molecule
Description
Icosan-9-yl docosanoate belongs to the fatty alcohol esters, a subclass of fatty acyls within the organic compounds. With an average molecular weight of 621.10 g/mol, Icosan-9-yl docosanoate is a heavy molecule. This compound has the chemical formula C42H84O2. It has been identified in one recorded source, specifically Electrical & Electronic Equipment (Antennas).
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC42H84O2
Average Molecular Mass621.100 g/mol
Monoisotopic Mass620.647 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C42H84O2/c1-4-7-10-13-16-18-19-20-21-22-23-24-25-26-27-29-31-34-37-40-42(43)44-41(38-35-32-15-12-9-6-3)39-36-33-30-28-17-14-11-8-5-2/h41H,4-40H2,1-3H3
InChI KeyJVJJISDLTWOEAR-UHFFFAOYSA-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
8077.0 Log mg/kg [4500:14000]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
CEDs000233Brushes?Brushes used in personal care and cosmetics can be a source of synthetic chemical contamination due to the materials and coatings used in their manufacturing.Personal care & cosmeticsPubChem
CEDs000506Antennas?Antennas, commonly used in communication technologies, can be a source of synthetic chemical contamination through the materials and coatings used in their construction.Electrical & Electronic EquipmentPubChem
CEDs000511Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.Electrical & Electronic EquipmentPubChem
CEDs000545Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.Food, food processing & cookwarePubChem
CEDs000610Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.Personal care & cosmeticsPubChem
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000612Body Washing Or Cleaning Implements?Body washing or cleaning implements, such as synthetic sponges, loofahs, and washcloths, can be sources of synthetic chemical contamination due to the materials used in their production.Personal care & cosmeticsPubChem
CEDs000613Depilatories?Depilatories are products designed to remove unwanted hair through the application of synthetic chemicals that break down the protein structure of hair, facilitating its removal.Personal care & cosmeticsPubChem
CEDs000617Lip Care Products?Lip care products, including lipsticks, balms, and glosses, often contain a variety of synthetic chemicals such as parabens, phthalates, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000618Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.Personal care & cosmeticsPubChem
CEDs000619Manicure Pedicure?Manicure and pedicure procedures often involve the use of various synthetic chemicals, including solvents, nail polishes, and nail adhesives.Personal care & cosmeticsPubChem
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureMitochondrial carnitine/acylcarnitine carrier proteinO43772HumansPredicted (SEA)
Prediction Confidence Score
0.553
Applicability Domain
0.553
Statistical Significance
1.00e-05
Supporting Reference Compounds
1
E-value
0.0778492
Autotaxin structureClick to view 3D structureAutotaxinQ13822HumansPredicted (SEA)
Prediction Confidence Score
0.474
Applicability Domain
0.538
Statistical Significance
4.10e-04
Supporting Reference Compounds
40
E-value
3.19182
Click to view 3D structureLysophosphatidic acid receptor 3Q9UBY5HumansPredicted (SEA)
Prediction Confidence Score
0.474
Applicability Domain
0.538
Statistical Significance
2.00e-04
Supporting Reference Compounds
21
E-value
1.55698
Lysophosphatidic acid receptor 1 structureClick to view 3D structureLysophosphatidic acid receptor 1Q92633HumansPredicted (SEA)
Prediction Confidence Score
0.441
Applicability Domain
0.538
Statistical Significance
2.40e-04
Supporting Reference Compounds
31
E-value
1.86838
Lysophosphatidic acid receptor 2 structureClick to view 3D structureLysophosphatidic acid receptor 2Q9HBW0HumansPredicted (SEA)
Prediction Confidence Score
0.438
Applicability Domain
0.525
Statistical Significance
2.10e-04
Supporting Reference Compounds
30
E-value
1.63483
Click to view 3D structureCAI-1 autoinducer sensor kinase/phosphatase CqsSQ9KM66Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)Predicted (SEA)
Prediction Confidence Score
0.424
Applicability Domain
0.424
Statistical Significance
7.00e-05
Supporting Reference Compounds
1
E-value
0.544945
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)
Prediction Confidence Score
0.418
Applicability Domain
0.448
Statistical Significance
0.0016
Supporting Reference Compounds
197
E-value
12.5337
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)
Prediction Confidence Score
0.418
Applicability Domain
0.448
Statistical Significance
0.0022
Supporting Reference Compounds
127
E-value
17.2047
Peroxisome proliferator-activated receptor delta structureClick to view 3D structurePeroxisome proliferator-activated receptor deltaQ03181HumansPredicted (SEA)
Prediction Confidence Score
0.413
Applicability Domain
0.448
Statistical Significance
0.0016
Supporting Reference Compounds
89
E-value
12.4559
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
0.4
Applicability Domain
0.448
Statistical Significance
8.90e-04
Supporting Reference Compounds
21
E-value
6.92858
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)
Prediction Confidence Score
0.384
Applicability Domain
0.487
Statistical Significance
0.0028
Supporting Reference Compounds
106
E-value
22.1092
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansPredicted (SEA)
Prediction Confidence Score
0.381
Applicability Domain
0.448
Statistical Significance
0.0044
Supporting Reference Compounds
192
E-value
34.1758
DNA-directed DNA/RNA polymerase mu structureClick to view 3D structureDNA-directed DNA/RNA polymerase muQ9NP87HumansPredicted (SEA)
Prediction Confidence Score
0.37
Applicability Domain
0.37
Statistical Significance
3.00e-05
Supporting Reference Compounds
1
E-value
0.233548
Click to view 3D structureDNA nucleotidylexotransferaseP06526Bos taurusPredicted (SEA)
Prediction Confidence Score
0.37
Applicability Domain
0.37
Statistical Significance
3.00e-05
Supporting Reference Compounds
1
E-value
0.233548
Cannabinoid receptor 1 structureClick to view 3D structureCannabinoid receptor 1P21554HumansPredicted (SEA)
Prediction Confidence Score
0.368
Applicability Domain
0.487
Statistical Significance
0.0044
Supporting Reference Compounds
200
E-value
34.0201
Cannabinoid receptor 2 structureClick to view 3D structureCannabinoid receptor 2P34972HumansPredicted (SEA)
Prediction Confidence Score
0.368
Applicability Domain
0.487
Statistical Significance
0.0042
Supporting Reference Compounds
175
E-value
32.3853
Click to view 3D structureCannabinoid receptor 1P20272Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.364
Applicability Domain
0.487
Statistical Significance
0.003
Supporting Reference Compounds
83
E-value
23.744
Click to view 3D structureLysophosphatidic acid receptor 4Q8BLG2Mus musculusPredicted (SEA)
Prediction Confidence Score
0.362
Applicability Domain
0.362
Statistical Significance
3.90e-04
Supporting Reference Compounds
1
E-value
3.03612
G-protein coupled receptor 84 structureClick to view 3D structureG-protein coupled receptor 84Q9NQS5HumansPredicted (SEA)
Prediction Confidence Score
0.36
Applicability Domain
0.448
Statistical Significance
6.00e-04
Supporting Reference Compounds
15
E-value
4.67095
Toll-like receptor 2 structureClick to view 3D structureToll-like receptor 2O60603HumansPredicted (SEA)
Prediction Confidence Score
0.355
Applicability Domain
0.448
Statistical Significance
1.50e-04
Supporting Reference Compounds
9
E-value
1.16774
Protein kinase C alpha type structureClick to view 3D structureProtein kinase C alpha typeP17252HumansPredicted (SEA)
Prediction Confidence Score
0.354
Applicability Domain
0.618
Statistical Significance
0.0052
Supporting Reference Compounds
258
E-value
40.4816
Lysophosphatidic acid receptor 6 structureClick to view 3D structureLysophosphatidic acid receptor 6P43657HumansPredicted (SEA)
Prediction Confidence Score
0.353
Applicability Domain
0.419
Statistical Significance
1.60e-04
Supporting Reference Compounds
3
E-value
1.24559
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)
Prediction Confidence Score
0.353
Applicability Domain
0.394
Statistical Significance
3.10e-04
Supporting Reference Compounds
40
E-value
2.41333
Click to view 3D structureLysophosphatidic acid receptor 4Q99677HumansPredicted (SEA)
Prediction Confidence Score
0.348
Applicability Domain
0.419
Statistical Significance
2.20e-04
Supporting Reference Compounds
9
E-value
1.71268
DNA polymerase iota structureClick to view 3D structureDNA polymerase iotaQ6R3M4Mus musculusPredicted (SEA)
Prediction Confidence Score
0.348
Applicability Domain
0.37
Statistical Significance
6.00e-05
Supporting Reference Compounds
2
E-value
0.467095
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available