Bis(2-ethylhexyl) terephalate (CED0093996)

Record Information
Version1.0
Creation Date2016-05-19 04:11:02 UTC
Update Date2026-08-22 04:09:27 UTC
SynCED IDCED0093996
Secondary Accession Numbers
  • CHEM013279
Identification
Common NameBis(2-ethylhexyl) terephalate
ClassSmall Molecule
Description
Bis(2-ethylhexyl) terephalate is an organic compound with the chemical formula $\text{C}_{24}\text{H}_{38}\text{O}_{4}$ and an average molecular weight of 390.56 g/mol. Bis(2-ethylhexyl) terephalate belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. In industrial applications, this compound serves multiple roles, functioning as a plasticizer, binder, and catalyst. It is further utilized as a dye, a fragrance, and as a softener and conditioner. The substance is found in or released from six recorded sources. Within the category of building and construction, it is associated with tents or canopies as well as sunshades, awnings, or outside screens. It has also been identified in drinking water and water supply systems, as well as in indoor air, dust, and atmospheric transport. Additionally, it is found in food contact materials related to food, food processing, and cookware. Recorded routes of human exposure to the compound include inhalation, oral ingestion, and touch.
Contaminant TypeNot Available
Chemical Structure
Synonyms
ValueSource
1,4-DEHTMeSH
Di-(2-ethylhexyl) terephthalateMeSH
1,4-Bis(2-ethylhexyl) benzene-1,4-dicarboxylic acidGenerator
Chemical FormulaC24H38O4
Average Molecular Mass390.564 g/mol
Monoisotopic Mass390.277 g/mol
CAS Registry Number6422-86-2
IUPAC Name1,4-bis(2-ethylhexyl) benzene-1,4-dicarboxylate
Traditional Namedioctyl terephthalate
SMILESCCCCC(CC)COC(=O)C1=CC=C(C=C1)C(=O)OCC(CC)CCCC
InChI IdentifierInChI=1S/C24H38O4/c1-5-9-11-19(7-3)17-27-23(25)21-13-15-22(16-14-21)24(26)28-18-20(8-4)12-10-6-2/h13-16,19-20H,5-12,17-18H2,1-4H3
InChI KeyRWPICVVBGZBXNA-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as p-phthalate esters. These are ester derivatives of p-phthalic acids, which are based on a benzene 1,4-dicarboxylic acid skeleton.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassBenzoic acids and derivatives
Direct Parentp-Phthalate esters
Alternative Parents
Substituents
  • Para-phthalic acid ester
  • Para_phthalic_acid
  • Benzoate ester
  • Benzoyl
  • Dicarboxylic acid or derivatives
  • Carboxylic acid ester
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
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 Properties
PropertyValueSource
Water Solubility0.00013 g/LALOGPS
logP7.48ALOGPS
logP8.03ChemAxon
logS-6.5ALOGPS
pKa (Strongest Basic)-6.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area52.6 ŲChemAxon
Rotatable Bond Count16ChemAxon
Refractivity114.4 m³·mol⁻¹ChemAxon
Polarizability48.2 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-08gj-9762000000-cfc30babee4d696dd501Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03dl-1938000000-bed181109e4a3e91f837Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-6921000000-f92339b10ad3b8c33619Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-06r6-9400000000-055132d8076427f761f5Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-0139000000-c64a53d1fda697a359e8Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-01u9-1694000000-7b7a516963a872e4f495Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-006t-9810000000-debed66b428b7af92773Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-0009000000-b3961efd2b07c3fa1844Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-01ox-2559000000-3dd055f187b2febc0938Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0900-9600000000-13f258979077f7cc2af3Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-0009000000-0312986dad14766b7b5aNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03ds-2279000000-d7602e66bfaabda8a9e7Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0g4i-1940000000-3be6b322f8a8bd811a39Not AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
9435.0 Log mg/kg [5300:17000]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
pre-eclampsiaElevated in Urine InincreaseNot AvailablePMC12136977
Atypical behaviorAssociated With?Not AvailableNot AvailablePMC12523086 , PMC12523086
Premature birthAssociated With?Not AvailableNot AvailablePMC12364790
ErythemaAssociated With?Not AvailableNot AvailablePMC5664933
female infertilityAssociated With?increaseNot AvailablePMC12257772
female infertilityAssociated With?Not AvailableNot AvailablePMC12257772
Gestational Weight GainAssociated With?Not AvailableNot AvailablePMC13137453
secondary hypertensionAssociated With?Not AvailableNot AvailablePMC12848149
IrritantsAssociated With?Not AvailableNot AvailablePMC12662857
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
CEDs000019Indoor air?Indoor air can be a significant reservoir for synthetic chemical contaminants, which often originate from various sources within enclosed environments.Air, dust & atmospheric transportNot Available
CEDs000081Sealants?Sealants are materials used to fill gaps, prevent leakage, and provide protection against environmental elements in various applications, particularly in the construction of buildings and infrastructure.Building & ConstructionPMC12502113 , PMC12502113
CEDs000115Drinking water?Drinking water can be a medium for synthetic chemical contamination, often originating from various industrial processes and agricultural practices.Drinking water & water supplyNot Available
CEDs000164Toys?Toys can be a source of synthetic chemical contamination due to the materials and additives used in their production.Household itemsPMC13137453 , PMC11362670
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
CEDs000234Medical devices?Medical devices often incorporate synthetic chemicals in their manufacturing processes, which can contribute to contamination in healthcare settings.Healthcare, pharmaceuticals & veterinary productsPMC4556272 , PMC11503776
CEDs000494Food contact materials?Food contact materials refer to substances and products that are intended to come into contact with food during processing, packaging, or preparation.Food, food processing & cookwareNot Available
CEDs000501Sunshades Awnings Or Outside Screens?Sunshades, awnings, and outside screens are often constructed using synthetic materials such as polyvinyl chloride (PVC), polyester, or acrylic fabrics.Building & ConstructionPubChem
CEDs000502Sunshades Awnings Or Outside Screens?Sunshades, awnings, and outside screens are commonly used in construction to enhance energy efficiency and provide shade.Building & ConstructionPubChem
CEDs000503Tents Or Canopies?Tents and canopies used in various applications can be a source of synthetic chemical contamination primarily due to the materials from which they are made.Building & ConstructionPubChem
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
CEDs000519Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.Electrical & Electronic EquipmentPubChem
CEDs000524Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.Electrical & Electronic EquipmentPubChem
CEDs000561Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.Household cleaning & consumer productsPubChem
CEDs000596Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.Agriculture & land managementPubChem
CEDs000600Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.Agriculture & land managementPubChem
CEDs000606Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.Agriculture & land managementPubChem
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsPubChem
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
CEDs000630Toys?Toys, particularly those made from synthetic materials such as plastics, can be a source of chemical contamination due to the presence of various additives and compounds used in their production.Recreation & sports surfacesPubChem
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsPubChem
CEDs000638Decorating Textiles?Decorating textiles often involves the use of synthetic chemicals such as dyes, finishes, and coatings.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
CEDs000657Surface Finishing Of Leather?Surface finishing of leather often involves the use of various synthetic chemicals, including dyes, resins, and finishing agents.Textiles, leather & furnishingsPubChem
CEDs000659Transfer Printing?Transfer printing is a process used to apply designs and patterns onto various substrates, commonly utilizing synthetic dyes and inks that can contain hazardous chemicals.Textiles, leather & furnishingsPubChem
CEDs000671Airplanes And Helicopters?Airplanes and helicopters are significant sources of synthetic chemical contamination primarily through the use of aviation fuels, lubricants, and de-icing agents.Aviation & AerospacePubChem
CEDs000679Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.Agriculture & land managementPubChem
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionPubChem
CEDs000686Clay Wares?Clay wares are ceramic products made from natural clay, often utilized in various construction applications such as tiles, bricks, and sanitary ware.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
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
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
CEDs000734Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.Building & ConstructionPubChem
CEDs000735Explosives?Explosives are chemical compounds or mixtures designed to undergo rapid decomposition, releasing energy in the form of gas and heat.Defense & military infrastructurePubChem
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
CEDs000740Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.Paper, pulp & fiber productsPubChem
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
CEDs01143DietFood, food processing & cookwarePMC7917578 , PMC5664933
CEDs01144FoodFood, food processing & cookwarePMC9119856 , PMC9119856
CEDs01148MilkFood, food processing & cookwarePMC9119856
CEDs01157FoodsFood, food processing & cookwarePMC9119856 , PMC9119856
CEDs01181Food ItemsFood, food processing & cookwarePMC9119856
CEDs01198HoneyFood, food processing & cookwarePMC12984814 , PMC11083514
CEDs01199Honey SamplesFood, food processing & cookwarePMC12984814 , PMC12984814
CEDs01276Food SamplesFood, food processing & cookwarePMC9119856 , PMC9119856
CEDs01504HoneysFood, food processing & cookwarePMC12984814 , PMC12984814
CEDs01599Food-contact MaterialsFood, food processing & cookwarePMC12502113
CEDs01800Food Contact MaterialsPackagingPMC10834835 , PMC11503776
CEDs01801Food PackagingPackagingPMC4556272 , PMC13137453
CEDs01821Food Packaging MaterialsPackagingPMC6754790
CEDs01886PlasticIndustrial manufacturing & chemical processingPMC7917578
CEDs01887MicroplasticsIndustrial manufacturing & chemical processingPMC12713724 , PMC9583606
CEDs02050PVC microplasticsIndustrial manufacturing & chemical processingPMC9583606
CEDs02255WaterAquatic systems & sedimentsPMC4556272
CEDs02589AirAir, dust & atmospheric transportPMC5056528
CEDs02590DustAir, dust & atmospheric transportPMC5056528 , PMC6917863
CEDs02593House DustAir, dust & atmospheric transportPMC13137453 , PMC9400961
CEDs02633Indoor Dust SamplesAir, dust & atmospheric transportPMC12538321
CEDs02679Fine Particulate MatterAir, dust & atmospheric transportPMC13137453
CEDs02739GlueBuilding & ConstructionPMC12502113 , PMC12502113
CEDs02794FlooringBuilding & ConstructionPMC7969426 , PMC13137453
CEDs02926Children S ToysHousehold itemsPMC11503776 , PMC12502113
CEDs02929Plastic ToysHousehold itemsPMC5056528
CEDs03169Consumer ProductsHousehold cleaning & consumer productsPMC12264980 , PMC5664933
CEDs03203TextileTextiles, leather & furnishingsPMC7969426
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Cyclic nucleotide-gated channel alpha-1 structureClick to view 3D structureCyclic nucleotide-gated channel alpha-1Q00194Bos taurusPredicted (SEA)
Prediction Confidence Score
0.374
Applicability Domain
0.396
Statistical Significance
4.00e-05
Supporting Reference Compounds
2
E-value
0.311397
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
0.349
Applicability Domain
0.349
Statistical Significance
0.0016
Supporting Reference Compounds
1
E-value
12.378
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.309
Applicability Domain
0.432
Statistical Significance
0.0373
Supporting Reference Compounds
472
E-value
290.533
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.305
Applicability Domain
0.432
Statistical Significance
0.0312
Supporting Reference Compounds
372
E-value
242.734
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.295
Applicability Domain
0.432
Statistical Significance
0.0427
Supporting Reference Compounds
407
E-value
332.105
Transient receptor potential cation channel subfamily V member 3 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 3Q8K424Mus musculusPredicted (SEA)
Prediction Confidence Score
0.288
Applicability Domain
0.288 Low confidence
Statistical Significance
0.0058
Supporting Reference Compounds
1
E-value
44.919
Click to view 3D structurePeptide deformylaseQ9JN24Escherichia coliPredicted (SEA)
Prediction Confidence Score
0.288
Applicability Domain
0.296 Low confidence
Statistical Significance
8.10e-04
Supporting Reference Compounds
10
E-value
6.30579
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.286
Applicability Domain
0.432
Statistical Significance
0.0444
Supporting Reference Compounds
332
E-value
345.495
Click to view 3D structureOrganic anion transporter 3O88909Mus musculusPredicted (SEA)
Prediction Confidence Score
0.283
Applicability Domain
0.283 Low confidence
Statistical Significance
0.0015
Supporting Reference Compounds
1
E-value
11.8331
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)
Prediction Confidence Score
0.283
Applicability Domain
0.396
Statistical Significance
0.0912
Supporting Reference Compounds
562
E-value
709.985
Protein RecA structureClick to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.281
Applicability Domain
0.321
Statistical Significance
0.026
Supporting Reference Compounds
296
E-value
202.797
Click to view 3D structureSqualene monooxygenaseP52020Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.278
Applicability Domain
0.364
Statistical Significance
2.50e-04
Supporting Reference Compounds
12
E-value
1.94623
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)
Prediction Confidence Score
0.277
Applicability Domain
0.432
Statistical Significance
0.0286
Supporting Reference Compounds
172
E-value
222.96
Interstitial collagenase structureClick to view 3D structureInterstitial collagenaseP03956HumansPredicted (SEA)
Prediction Confidence Score
0.276
Applicability Domain
0.296 Low confidence
Statistical Significance
0.0539
Supporting Reference Compounds
258
E-value
419.607
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)
Prediction Confidence Score
0.273
Applicability Domain
0.432
Statistical Significance
0.0405
Supporting Reference Compounds
242
E-value
315.211
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)
Prediction Confidence Score
0.273
Applicability Domain
0.396
Statistical Significance
0.1374
Supporting Reference Compounds
823
E-value
1069.96
Estrogen receptor beta structureClick to view 3D structureEstrogen receptor betaQ92731HumansPredicted (SEA)
Prediction Confidence Score
0.269
Applicability Domain
0.432
Statistical Significance
0.0293
Supporting Reference Compounds
174
E-value
228.02
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)
Prediction Confidence Score
0.269
Applicability Domain
0.317
Statistical Significance
0.0388
Supporting Reference Compounds
127
E-value
301.899
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansPredicted (SEA)
Prediction Confidence Score
0.268
Applicability Domain
0.364
Statistical Significance
0.0262
Supporting Reference Compounds
201
E-value
204.354
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
0.268
Applicability Domain
0.268 Low confidence
Statistical Significance
0.001
Supporting Reference Compounds
1
E-value
7.94062
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)
Prediction Confidence Score
0.267
Applicability Domain
0.321
Statistical Significance
0.0718
Supporting Reference Compounds
425
E-value
559.347
Cathepsin G structureClick to view 3D structureCathepsin GP08311HumansPredicted (SEA)
Prediction Confidence Score
0.264
Applicability Domain
0.333
Statistical Significance
0.018
Supporting Reference Compounds
55
E-value
139.895
Chymotrypsin-like elastase family member 2A structureClick to view 3D structureChymotrypsin-like elastase family member 2AP08419Sus scrofaPredicted (SEA)
Prediction Confidence Score
0.264
Applicability Domain
0.333
Statistical Significance
0.0069
Supporting Reference Compounds
23
E-value
54.0274
Cathepsin K structureClick to view 3D structureCathepsin KP43235HumansPredicted (SEA)
Prediction Confidence Score
0.261
Applicability Domain
0.279 Low confidence
Statistical Significance
0.0474
Supporting Reference Compounds
129
E-value
369.161
Amine oxidase [flavin-containing] A structureClick to view 3D structureAmine oxidase [flavin-containing] AP21397HumansPredicted (SEA)
Prediction Confidence Score
0.261
Applicability Domain
0.396
Statistical Significance
0.0631
Supporting Reference Compounds
241
E-value
491.384
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDHMDB0249244
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider ID21471
ChEBI IDNot Available
PubChem Compound ID22932
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available