Poly(oxy-1,2-ethanediyl), .alpha.-phenyl-.omega.-hydroxy-, phosphate (CED0075602)

Record Information
Version1.0
Creation Date2016-05-19 03:51:40 UTC
Update Date2026-04-17 17:02:25 UTC
SynCED IDCED0075602
Secondary Accession Numbers
  • CHEM012216
Identification
Common NamePoly(oxy-1,2-ethanediyl), .alpha.-phenyl-.omega.-hydroxy-, phosphate
ClassSmall Molecule
Description
Poly(oxy-1,2-ethanediyl),.alpha.-phenyl-.omega.-hydroxy-, phosphate belongs to the phenol ethers, a class of benzenoids within the organic compounds. This compound has the formula C8H13O6P and an average molecular weight of 236.16 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC8H13O6P
Average Molecular MassNot Available
Monoisotopic Mass236.045 g/mol
CAS Registry Number39464-70-5
IUPAC NameNot Available
Traditional NameNot Available
SMILESC1=CC=C(C=C1)OCCO.OP(=O)(O)O
InChI IdentifierNot Available
InChI KeyWUSMTFVMXOQYCT-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
1712.0 Log mg/kg [960:3000]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
CEDs000010Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.Agriculture & land managementPubChem
CEDs000563Soap Detergents?Soap detergents are synthetic surfactants designed to enhance the cleaning efficacy of water by reducing surface tension, allowing for better interaction with dirt and grease.Household cleaning & consumer productsPubChem
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionPubChem
CEDs000688Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.Building & ConstructionPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Histamine H3 receptor structureClick to view 3D structureHistamine H3 receptorQ9Y5N1HumansPredicted (SEA)
Prediction Confidence Score
0.346
Applicability Domain
0.35
Statistical Significance
0.0122
Supporting Reference Compounds
294
E-value
94.8982
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
0.333
Applicability Domain
0.333
Statistical Significance
0.0025
Supporting Reference Compounds
1
E-value
19.618
Mandelate racemase structureClick to view 3D structureMandelate racemaseP11444Pseudomonas putidaPredicted (SEA)
Prediction Confidence Score
0.333
Applicability Domain
0.333
Statistical Significance
1.40e-04
Supporting Reference Compounds
1
E-value
1.08989
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)
Prediction Confidence Score
0.331
Applicability Domain
0.348
Statistical Significance
0.0897
Supporting Reference Compounds
1498
E-value
698.619
Free fatty acid receptor 1 structureClick to view 3D structureFree fatty acid receptor 1O14842HumansPredicted (SEA)
Prediction Confidence Score
0.321
Applicability Domain
0.333
Statistical Significance
0.0049
Supporting Reference Compounds
56
E-value
38.3797
Estrogen-related receptor gamma structureClick to view 3D structureEstrogen-related receptor gammaP62508HumansPredicted (SEA)
Prediction Confidence Score
0.311
Applicability Domain
0.314
Statistical Significance
7.80e-04
Supporting Reference Compounds
18
E-value
6.07224
Click to view 3D structureSigma non-opioid intracellular receptor 1Q60492Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.31
Applicability Domain
0.35
Statistical Significance
0.0295
Supporting Reference Compounds
229
E-value
229.967
D(3) dopamine receptor structureClick to view 3D structureD(3) dopamine receptorP35462HumansPredicted (SEA)
Prediction Confidence Score
0.31
Applicability Domain
0.326
Statistical Significance
0.0575
Supporting Reference Compounds
861
E-value
447.477
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansPredicted (SEA)
Prediction Confidence Score
0.31
Applicability Domain
0.314
Statistical Significance
0.0111
Supporting Reference Compounds
201
E-value
86.2569
72 kDa type IV collagenase structureClick to view 3D structure72 kDa type IV collagenaseP08253HumansPredicted (SEA)
Prediction Confidence Score
0.309
Applicability Domain
0.347
Statistical Significance
0.0379
Supporting Reference Compounds
400
E-value
295.438
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansPredicted (SEA)
Prediction Confidence Score
0.308
Applicability Domain
0.348
Statistical Significance
0.0149
Supporting Reference Compounds
192
E-value
116.307
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)
Prediction Confidence Score
0.307
Applicability Domain
0.348
Statistical Significance
0.0116
Supporting Reference Compounds
127
E-value
90.2272
Click to view 3D structurePotassium voltage-gated channel subfamily A member 7Q96RP8HumansPredicted (SEA)
Prediction Confidence Score
0.306
Applicability Domain
0.306
Statistical Significance
5.40e-04
Supporting Reference Compounds
1
E-value
4.20386
Matrix metalloproteinase-9 structureClick to view 3D structureMatrix metalloproteinase-9P14780HumansPredicted (SEA)
Prediction Confidence Score
0.306
Applicability Domain
0.347
Statistical Significance
0.037
Supporting Reference Compounds
292
E-value
287.809
Histamine H1 receptor structureClick to view 3D structureHistamine H1 receptorP35367HumansPredicted (SEA)
Prediction Confidence Score
0.306
Applicability Domain
0.348
Statistical Significance
0.0442
Supporting Reference Compounds
507
E-value
344.249
Collagenase 3 structureClick to view 3D structureCollagenase 3P45452HumansPredicted (SEA)
Prediction Confidence Score
0.305
Applicability Domain
0.347
Statistical Significance
0.0254
Supporting Reference Compounds
269
E-value
197.971
GIM-1 protein structureClick to view 3D structureGIM-1 proteinQ704V1Pseudomonas aeruginosaPredicted (SEA)
Prediction Confidence Score
0.304
Applicability Domain
0.325
Statistical Significance
5.70e-04
Supporting Reference Compounds
2
E-value
4.43741
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)
Prediction Confidence Score
0.303
Applicability Domain
0.353
Statistical Significance
0.0341
Supporting Reference Compounds
451
E-value
265.777
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)
Prediction Confidence Score
0.303
Applicability Domain
0.311
Statistical Significance
0.0595
Supporting Reference Compounds
562
E-value
462.891
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)
Prediction Confidence Score
0.303
Applicability Domain
0.326
Statistical Significance
0.0843
Supporting Reference Compounds
1103
E-value
656.035
Neuronal acetylcholine receptor subunit alpha-7 structureClick to view 3D structureNeuronal acetylcholine receptor subunit alpha-7P22770Gallus gallusPredicted (SEA)
Prediction Confidence Score
0.302
Applicability Domain
0.302
Statistical Significance
3.30e-04
Supporting Reference Compounds
1
E-value
2.56902
Protein-tyrosine kinase 2-beta structureClick to view 3D structureProtein-tyrosine kinase 2-betaQ14289HumansPredicted (SEA)
Prediction Confidence Score
0.302
Applicability Domain
0.389
Statistical Significance
0.0553
Supporting Reference Compounds
414
E-value
430.74
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)
Prediction Confidence Score
0.301
Applicability Domain
0.311
Statistical Significance
0.0788
Supporting Reference Compounds
955
E-value
613.218
Prostaglandin G/H synthase 1 structureClick to view 3D structureProstaglandin G/H synthase 1P23219HumansPredicted (SEA)
Prediction Confidence Score
0.3
Applicability Domain
0.353
Statistical Significance
0.0102
Supporting Reference Compounds
136
E-value
79.6398
Click to view 3D structureSigma intracellular receptor 2Q5U3Y7Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.299
Applicability Domain
0.35
Statistical Significance
0.0204
Supporting Reference Compounds
110
E-value
158.812
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available