1,4-Dibenzyloxybenzene (CED0066874)

Record Information
Version1.0
Creation Date2026-04-04 07:54:17 UTC
Update Date2026-08-20 05:08:56 UTC
SynCED IDCED0066874
Secondary Accession Numbers
  • CHEM072874
Identification
Common Name1,4-Dibenzyloxybenzene
ClassSmall Molecule
Description
1,4-Dibenzyloxybenzene belongs to the phenol ethers, a class of benzenoids within the organic compounds. This compound has the formula C20H18O2 and an average molecular weight of 290.36 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC20H18O2
Average Molecular Mass290.362 g/mol
Monoisotopic Mass290.131 g/mol
CAS Registry Number621-91-0
IUPAC NameNot Available
Traditional NameNot Available
SMILESC(OC1=CC=C(OCC2=CC=CC=C2)C=C1)C1=CC=CC=C1
InChI IdentifierInChI=1S/C20H18O2/c1-3-7-17(8-4-1)15-21-19-11-13-20(14-12-19)22-16-18-9-5-2-6-10-18/h1-14H,15-16H2
InChI KeyDYULYMCXVSRUPB-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
2459.0 Log mg/kg [1400:4400]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
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
CEDs000615Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.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
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsPubChem
CEDs000642Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.Textiles, leather & furnishingsPubChem
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
CEDs000712Combination Pens?Combination pens, which typically contain both ink and additional functionalities such as highlighters or stylus tips, may contribute to synthetic chemical contamination primarily through their ink formulations and plastic components.Paper, pulp & fiber productsPubChem
CEDs000716Erasers?Erasers, commonly used in writing and drawing applications, are often made from synthetic rubber or thermoplastic materials, which can contain various additives such as plasticizers, fillers, and colorants.Paper, pulp & fiber productsPubChem
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsPubChem
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 structureAmine oxidase [flavin-containing] BP19643Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.505
Applicability Domain
0.68
Statistical Significance
3.70e-04
Supporting Reference Compounds
77
E-value
2.88042
Amine oxidase [flavin-containing] B structureClick to view 3D structureAmine oxidase [flavin-containing] BP27338HumansPredicted (SEA)
Prediction Confidence Score
0.459
Applicability Domain
0.5
Statistical Significance
0.0028
Supporting Reference Compounds
315
E-value
22.0313
p-hydroxybenzoate hydroxylase structureClick to view 3D structurep-hydroxybenzoate hydroxylaseP00438Pseudomonas fluorescensPredicted (SEA)
Prediction Confidence Score
0.455
Applicability Domain
0.455
Statistical Significance
1.00e-05
Supporting Reference Compounds
1
E-value
0.0778492
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)
Prediction Confidence Score
0.44
Applicability Domain
0.818
Statistical Significance
0.0045
Supporting Reference Compounds
553
E-value
34.8764
Amine oxidase [flavin-containing] A structureClick to view 3D structureAmine oxidase [flavin-containing] AP21396Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.437
Applicability Domain
0.5
Statistical Significance
7.00e-04
Supporting Reference Compounds
66
E-value
5.44945
Cholinesterase structureClick to view 3D structureCholinesteraseP06276HumansPredicted (SEA)
Prediction Confidence Score
0.432
Applicability Domain
0.72
Statistical Significance
0.0033
Supporting Reference Compounds
234
E-value
26.0016
Amine oxidase [flavin-containing] A structureClick to view 3D structureAmine oxidase [flavin-containing] AP21397HumansPredicted (SEA)
Prediction Confidence Score
0.418
Applicability Domain
0.5
Statistical Significance
0.0025
Supporting Reference Compounds
241
E-value
19.3066
Polyunsaturated fatty acid 5-lipoxygenase structureClick to view 3D structurePolyunsaturated fatty acid 5-lipoxygenaseP09917HumansPredicted (SEA)
Prediction Confidence Score
0.409
Applicability Domain
0.68
Statistical Significance
0.0023
Supporting Reference Compounds
182
E-value
17.7496
Glycogen synthase kinase-3 beta structureClick to view 3D structureGlycogen synthase kinase-3 betaP49841HumansPredicted (SEA)
Prediction Confidence Score
0.408
Applicability Domain
0.514
Statistical Significance
0.0183
Supporting Reference Compounds
1157
E-value
142.62
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)
Prediction Confidence Score
0.405
Applicability Domain
0.818
Statistical Significance
0.0047
Supporting Reference Compounds
451
E-value
36.9005
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)
Prediction Confidence Score
0.404
Applicability Domain
0.514
Statistical Significance
0.0276
Supporting Reference Compounds
1498
E-value
214.942
Leukotriene A-4 hydrolase structureClick to view 3D structureLeukotriene A-4 hydrolaseP09960HumansPredicted (SEA)
Prediction Confidence Score
0.401
Applicability Domain
0.581
Statistical Significance
8.00e-04
Supporting Reference Compounds
51
E-value
6.22794
Nucleic acid dioxygenase ALKBH1 structureClick to view 3D structureNucleic acid dioxygenase ALKBH1Q13686HumansPredicted (SEA)
Prediction Confidence Score
0.4
Applicability Domain
0.4
Statistical Significance
9.00e-05
Supporting Reference Compounds
1
E-value
0.700643
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)
Prediction Confidence Score
0.399
Applicability Domain
0.472
Statistical Significance
0.0137
Supporting Reference Compounds
1130
E-value
106.653
Aurora kinase B structureClick to view 3D structureAurora kinase BQ96GD4HumansPredicted (SEA)
Prediction Confidence Score
0.395
Applicability Domain
0.486
Statistical Significance
0.0224
Supporting Reference Compounds
1017
E-value
174.538
Prothrombin structureClick to view 3D structureProthrombinP00734HumansPredicted (SEA)
Prediction Confidence Score
0.392
Applicability Domain
0.514
Statistical Significance
0.01
Supporting Reference Compounds
331
E-value
78.2385
Prostaglandin G/H synthase 2 structureClick to view 3D structureProstaglandin G/H synthase 2P35354HumansPredicted (SEA)
Prediction Confidence Score
0.389
Applicability Domain
0.818
Statistical Significance
0.0028
Supporting Reference Compounds
201
E-value
22.187
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)
Prediction Confidence Score
0.388
Applicability Domain
0.459
Statistical Significance
0.0093
Supporting Reference Compounds
406
E-value
72.3998
Collagenase 3 structureClick to view 3D structureCollagenase 3P45452HumansPredicted (SEA)
Prediction Confidence Score
0.382
Applicability Domain
0.474
Statistical Significance
0.0066
Supporting Reference Compounds
269
E-value
51.614
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)
Prediction Confidence Score
0.38
Applicability Domain
0.486
Statistical Significance
0.0382
Supporting Reference Compounds
1301
E-value
297.306
Prostaglandin G/H synthase 1 structureClick to view 3D structureProstaglandin G/H synthase 1P23219HumansPredicted (SEA)
Prediction Confidence Score
0.38
Applicability Domain
0.818
Statistical Significance
0.0019
Supporting Reference Compounds
136
E-value
14.9471
Histamine H3 receptor structureClick to view 3D structureHistamine H3 receptorQ9Y5N1HumansPredicted (SEA)
Prediction Confidence Score
0.378
Applicability Domain
0.425
Statistical Significance
0.0072
Supporting Reference Compounds
294
E-value
55.9736
Mas-related G-protein coupled receptor member X4 structureClick to view 3D structureMas-related G-protein coupled receptor member X4Q96LA9HumansPredicted (SEA)
Prediction Confidence Score
0.376
Applicability Domain
0.457
Statistical Significance
4.20e-04
Supporting Reference Compounds
7
E-value
3.26967
Click to view 3D structureCholinesteraseP81908Equus caballusPredicted (SEA)
Prediction Confidence Score
0.373
Applicability Domain
0.447
Statistical Significance
0.0075
Supporting Reference Compounds
201
E-value
58.3091
Click to view 3D structureAtaxin-2O70305Mus musculusPredicted (SEA)
Prediction Confidence Score
0.372
Applicability Domain
0.391
Statistical Significance
3.70e-04
Supporting Reference Compounds
2
E-value
2.88042
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available