Oxolan-2-ylmethyl (z,12r)-12-hydroxyoctadec-9-enoate (CED0288071)

Record Information
Version1.0
Creation Date2026-08-30 20:32:31 UTC
Update Date2026-08-30 20:32:31 UTC
SynCED IDCED0288071
Secondary Accession Numbers
  • CHEM333529
Identification
Common NameOxolan-2-ylmethyl (z,12r)-12-hydroxyoctadec-9-enoate
ClassSmall Molecule
Description
Oxolan-2-ylmethyl (z,12r)-12-hydroxyoctadec-9-enoate is a chemical compound with the formula C23H42O4. It has an average molecular weight of 382.60 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC23H42O4
Average Molecular MassNot Available
Monoisotopic Mass382.308 g/mol
CAS Registry Number221363-34-4
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCCCCCC(CC=CCCCCCCCC(=O)OCC1CCCO1)O
InChI IdentifierInChI=1S/C23H42O4/c1-2-3-4-11-15-21(24)16-12-9-7-5-6-8-10-13-18-23(25)27-20-22-17-14-19-26-22/h9,12,21-22,24H,2-8,10-11,13-20H2,1H3/b12-9-/t21-,22?/m1/s1
InChI KeySXRAILSODLEVQJ-OLLSULERSA-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
6399.0 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
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, 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
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 structureLysophosphatidic acid receptor 4Q8BLG2Mus musculusPredicted (SEA)
Prediction Confidence Score
0.435
Applicability Domain
0.435
Statistical Significance
1.80e-04
Supporting Reference Compounds
1
E-value
1.40129
Click to view 3D structureLysophosphatidic acid receptor 3Q9UBY5HumansPredicted (SEA)
Prediction Confidence Score
0.395
Applicability Domain
0.435
Statistical Significance
3.30e-04
Supporting Reference Compounds
21
E-value
2.56902
Lysophosphatidic acid receptor 2 structureClick to view 3D structureLysophosphatidic acid receptor 2Q9HBW0HumansPredicted (SEA)
Prediction Confidence Score
0.391
Applicability Domain
0.435
Statistical Significance
3.50e-04
Supporting Reference Compounds
30
E-value
2.72472
Autotaxin structureClick to view 3D structureAutotaxinQ13822HumansPredicted (SEA)
Prediction Confidence Score
0.38
Applicability Domain
0.435
Statistical Significance
8.10e-04
Supporting Reference Compounds
40
E-value
6.30579
Fatty-acid amide hydrolase 1 structureClick to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.375
Applicability Domain
0.526
Statistical Significance
0.0023
Supporting Reference Compounds
102
E-value
17.9832
Lysophosphatidic acid receptor 1 structureClick to view 3D structureLysophosphatidic acid receptor 1Q92633HumansPredicted (SEA)
Prediction Confidence Score
0.368
Applicability Domain
0.435
Statistical Significance
5.00e-04
Supporting Reference Compounds
31
E-value
3.89246
Putative P2Y purinoceptor 10 structureClick to view 3D structurePutative P2Y purinoceptor 10O00398HumansPredicted (SEA)
Prediction Confidence Score
0.353
Applicability Domain
0.386
Statistical Significance
3.60e-04
Supporting Reference Compounds
10
E-value
2.80257
Click to view 3D structureLysophosphatidic acid receptor 4Q99677HumansPredicted (SEA)
Prediction Confidence Score
0.346
Applicability Domain
0.435
Statistical Significance
2.30e-04
Supporting Reference Compounds
9
E-value
1.79053
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansPredicted (SEA)
Prediction Confidence Score
0.345
Applicability Domain
0.355
Statistical Significance
0.0072
Supporting Reference Compounds
192
E-value
55.8179
Platelet glycoprotein 4 structureClick to view 3D structurePlatelet glycoprotein 4P16671HumansPredicted (SEA)
Prediction Confidence Score
0.338
Applicability Domain
0.338
Statistical Significance
1.60e-04
Supporting Reference Compounds
1
E-value
1.24559
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)
Prediction Confidence Score
0.336
Applicability Domain
0.352
Statistical Significance
0.0064
Supporting Reference Compounds
127
E-value
49.59
Peroxisome proliferator-activated receptor delta structureClick to view 3D structurePeroxisome proliferator-activated receptor deltaQ03181HumansPredicted (SEA)
Prediction Confidence Score
0.336
Applicability Domain
0.352
Statistical Significance
0.0046
Supporting Reference Compounds
89
E-value
36.1999
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
0.334
Applicability Domain
0.435
Statistical Significance
0.0045
Supporting Reference Compounds
104
E-value
35.11
Click to view 3D structureCannabinoid receptor 1P20272Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.323
Applicability Domain
0.352
Statistical Significance
0.0047
Supporting Reference Compounds
83
E-value
36.9784
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
0.321
Applicability Domain
0.352
Statistical Significance
0.0017
Supporting Reference Compounds
21
E-value
13.4679
Probable G-protein coupled receptor 34 structureClick to view 3D structureProbable G-protein coupled receptor 34Q9UPC5HumansPredicted (SEA)
Prediction Confidence Score
0.317
Applicability Domain
0.386
Statistical Significance
4.90e-04
Supporting Reference Compounds
11
E-value
3.81461
Cannabinoid receptor 1 structureClick to view 3D structureCannabinoid receptor 1P21554HumansPredicted (SEA)
Prediction Confidence Score
0.315
Applicability Domain
0.339
Statistical Significance
0.012
Supporting Reference Compounds
200
E-value
93.1077
Cannabinoid receptor 2 structureClick to view 3D structureCannabinoid receptor 2P34972HumansPredicted (SEA)
Prediction Confidence Score
0.31
Applicability Domain
0.339
Statistical Significance
0.0112
Supporting Reference Compounds
175
E-value
87.269
Click to view 3D structureLysophosphatidic acid receptor 3Q8K5E0Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.309
Applicability Domain
0.343
Statistical Significance
4.00e-05
Supporting Reference Compounds
4
E-value
0.311397
Click to view 3D structureSolute carrier organic anion transporter family member 2A1Q9EPT5Mus musculusPredicted (SEA)
Prediction Confidence Score
0.309
Applicability Domain
0.315
Statistical Significance
3.40e-04
Supporting Reference Compounds
2
E-value
2.64687
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)
Prediction Confidence Score
0.307
Applicability Domain
0.352
Statistical Significance
0.0125
Supporting Reference Compounds
106
E-value
97.6229
Lysophosphatidic acid receptor 6 structureClick to view 3D structureLysophosphatidic acid receptor 6P43657HumansPredicted (SEA)
Prediction Confidence Score
0.299
Applicability Domain
0.435
Statistical Significance
3.00e-04
Supporting Reference Compounds
3
E-value
2.33548
Click to view 3D structureSolute carrier organic anion transporter family member 2B1Q9JHI3Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.298
Applicability Domain
0.315
Statistical Significance
2.90e-04
Supporting Reference Compounds
2
E-value
2.25763
Click to view 3D structureG protein-coupled receptor 34aQ6XCC7Danio rerioPredicted (SEA)
Prediction Confidence Score
0.295
Applicability Domain
0.386
Statistical Significance
2.90e-04
Supporting Reference Compounds
2
E-value
2.25763
Click to view 3D structureG protein-coupled receptor 34bB0S6P9Danio rerioPredicted (SEA)
Prediction Confidence Score
0.295
Applicability Domain
0.386
Statistical Significance
2.90e-04
Supporting Reference Compounds
2
E-value
2.25763
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available