(4-Methoxyphenyl)methyl laurate (CED0054510)

Record Information
Version1.0
Creation Date2026-04-05 08:32:17 UTC
Update Date2026-04-05 08:32:17 UTC
Accession NumberCHEM097193
Identification
Common Name(4-Methoxyphenyl)methyl laurate
ClassSmall Molecule
Description
(4-Methoxyphenyl)methyl laurate belongs to the benzyloxycarbonyls, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C20H32O3 and an average molecular weight of 320.47 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC20H32O3
Average Molecular Mass320.473 g/mol
Monoisotopic Mass320.235 g/mol
CAS Registry Number93980-79-1
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCCCCCCCCCCC(=O)OCC1=CC=C(OC)C=C1
InChI IdentifierInChI=1/C20H32O3/c1-3-4-5-6-7-8-9-10-11-12-20(21)23-17-18-13-15-19(22-2)16-14-18/h13-16H,3-12,17H2,1-2H3
InChI KeyDRMAPFJISUWUEF-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
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
5728.0Log mg/kg[3200:10000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureAcidic phospholipase A2 CM-IP00602Naja mossambicaPredicted (SEA)2.25763
UDP-3-O-acyl-N-acetylglucosamine deacetylase structureClick to view 3D structureUDP-3-O-acyl-N-acetylglucosamine deacetylaseO67648Aquifex aeolicus (strain VF5)Predicted (SEA)5.3716
Click to view 3D structureSarcoplasmic/endoplasmic reticulum calcium ATPase 3Q64518Mus musculusPredicted (SEA)4.28171
Inward rectifier potassium channel 2 structureClick to view 3D structureInward rectifier potassium channel 2P35561Mus musculusPredicted (SEA)2.49118
Sodium/iodide cotransporter structureClick to view 3D structureSodium/iodide cotransporterQ63008Rattus norvegicusPredicted (SEA)2.33548
DNA-directed DNA/RNA polymerase mu structureClick to view 3D structureDNA-directed DNA/RNA polymerase muQ9NP87HumansPredicted (SEA)0.311397
Click to view 3D structureDNA nucleotidylexotransferaseP06526Bos taurusPredicted (SEA)0.311397
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)262.43
Autotaxin structureClick to view 3D structureAutotaxinQ13822HumansPredicted (SEA)7.16213
Click to view 3D structureLysophosphatidic acid receptor 3Q9UBY5HumansPredicted (SEA)4.04816
Lysophosphatidic acid receptor 1 structureClick to view 3D structureLysophosphatidic acid receptor 1Q92633HumansPredicted (SEA)4.51525
Cytochrome P450 2C8 structureClick to view 3D structureCytochrome P450 2C8P10632HumansPredicted (SEA)47.8773
Lysophosphatidic acid receptor 2 structureClick to view 3D structureLysophosphatidic acid receptor 2Q9HBW0HumansPredicted (SEA)4.04816
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)39.6253
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)177.107
Transient receptor potential cation channel subfamily V member 2 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 2Q9WUD2Rattus norvegicusPredicted (SEA)10.5875
DNA polymerase iota structureClick to view 3D structureDNA polymerase iotaQ6R3M4Mus musculusPredicted (SEA)0.467095
Cytochrome P450 2B6 structureClick to view 3D structureCytochrome P450 2B6P20813HumansPredicted (SEA)13.0008
Click to view 3D structureHistone deacetylase 11Q96DB2HumansPredicted (SEA)57.1413
Cytochrome P450 2C19 structureClick to view 3D structureCytochrome P450 2C19P33261HumansPredicted (SEA)208.247
Peroxisome proliferator-activated receptor delta structureClick to view 3D structurePeroxisome proliferator-activated receptor deltaQ03181HumansPredicted (SEA)35.8885
Click to view 3D structureLysophosphatidic acid receptor 4Q8BLG2Mus musculusPredicted (SEA)4.04816
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)609.949
Transient receptor potential cation channel subfamily V member 1 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 1Q8NER1HumansPredicted (SEA)36.7448
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)180.844
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available