Ammonium 2-amino-4,6-dinitrophenolate (CED0073982)

Record Information
Version1.0
Creation Date2026-04-05 18:48:16 UTC
Update Date2026-04-05 18:48:16 UTC
SynCED IDCED0073982
Secondary Accession Numbers
  • CHEM106234
Identification
Common NameAmmonium 2-amino-4,6-dinitrophenolate
ClassSmall Molecule
Description
Ammonium 2-amino-4,6-dinitrophenolate belongs to the aniline and substituted anilines, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C6H5N3O5.H3N.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC6H5N3O5.H3N
Average Molecular MassNot Available
Monoisotopic MassNot Available
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1/C6H5N3O5.H3N/c7-4-1-3(8(11)12)2-5(6(4)10)9(13)14;/h1-2,10H,7H2;1H3
InChI KeyQVQATLCZPOLIEI-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
241.0 Log mg/kg [140:430]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 EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
No Sources linked to this compound
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Thioredoxin reductase structureClick to view 3D structureThioredoxin reductaseP61076Plasmodium falciparum 3D7Predicted (SEA)
Prediction Confidence Score
0.421
Applicability Domain
0.421
Statistical Significance
2.00e-05
Supporting Reference Compounds
1
E-value
0.155698
Catechol O-methyltransferase structureClick to view 3D structureCatechol O-methyltransferaseP22734Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.414
Applicability Domain
0.633
Statistical Significance
1.50e-04
Supporting Reference Compounds
15
E-value
1.16774
Endolysin structureClick to view 3D structureEndolysinP00720Enterobacteria phage T4Predicted (SEA)
Prediction Confidence Score
0.375
Applicability Domain
0.375
Statistical Significance
1.20e-04
Supporting Reference Compounds
1
E-value
0.934191
Click to view 3D structureCatechol O-methyltransferaseQ99028Sus scrofaPredicted (SEA)
Prediction Confidence Score
0.337
Applicability Domain
0.405
Statistical Significance
1.60e-04
Supporting Reference Compounds
2
E-value
1.24559
Transthyretin structureClick to view 3D structureTransthyretinP02766HumansPredicted (SEA)
Prediction Confidence Score
0.337
Applicability Domain
0.633
Statistical Significance
0.0014
Supporting Reference Compounds
55
E-value
11.1324
Click to view 3D structurePutative nitroreductaseQ4A0P1Staphylococcus saprophyticus subsp. saprophyticus (strain ATCC 15305 / DSM20229 / NCIMB 8711 / NCTC 7292 / S-41)Predicted (SEA)
Prediction Confidence Score
0.327
Applicability Domain
0.359
Statistical Significance
2.00e-05
Supporting Reference Compounds
2
E-value
0.155698
Genome polyprotein structureClick to view 3D structureGenome polyproteinP29990dengue virus type 2Predicted (SEA)
Prediction Confidence Score
0.326
Applicability Domain
0.381
Statistical Significance
0.0011
Supporting Reference Compounds
58
E-value
8.79696
Arylsulfatase structureClick to view 3D structureArylsulfataseP51691Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)Predicted (SEA)
Prediction Confidence Score
0.31
Applicability Domain
0.31
Statistical Significance
6.10e-04
Supporting Reference Compounds
1
E-value
4.7488
G-protein coupled receptor 35 structureClick to view 3D structureG-protein coupled receptor 35Q9HC97HumansPredicted (SEA)
Prediction Confidence Score
0.3
Applicability Domain
0.349
Statistical Significance
0.0034
Supporting Reference Compounds
115
E-value
26.313
Click to view 3D structureModulator of drug activity AQ8X6S1Escherichia coli O157:H7Predicted (SEA)
Prediction Confidence Score
0.297
Applicability Domain
0.298 Low confidence
Statistical Significance
3.00e-05
Supporting Reference Compounds
2
E-value
0.233548
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.286
Applicability Domain
0.343
Statistical Significance
0.0655
Supporting Reference Compounds
472
E-value
509.601
Protein RecA structureClick to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.285
Applicability Domain
0.381
Statistical Significance
0.0221
Supporting Reference Compounds
296
E-value
172.202
DNA (cytosine-5)-methyltransferase 1 structureClick to view 3D structureDNA (cytosine-5)-methyltransferase 1P26358HumansPredicted (SEA)
Prediction Confidence Score
0.282
Applicability Domain
0.588
Statistical Significance
0.0116
Supporting Reference Compounds
116
E-value
90.4608
Click to view 3D structureCarbonic anhydrase 5A, mitochondrialP35218HumansPredicted (SEA)
Prediction Confidence Score
0.281
Applicability Domain
0.343
Statistical Significance
0.0262
Supporting Reference Compounds
165
E-value
204.276
Induced myeloid leukemia cell differentiation protein Mcl-1 structureClick to view 3D structureInduced myeloid leukemia cell differentiation protein Mcl-1Q07820HumansPredicted (SEA)
Prediction Confidence Score
0.28
Applicability Domain
0.328
Statistical Significance
0.0362
Supporting Reference Compounds
343
E-value
281.658
Click to view 3D structureATP-dependent molecular chaperone HSP82C4YTQ8Candida albicans (strain WO-1) (Yeast)Predicted (SEA)
Prediction Confidence Score
0.279
Applicability Domain
0.326
Statistical Significance
0.0184
Supporting Reference Compounds
205
E-value
143.32
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)
Prediction Confidence Score
0.276
Applicability Domain
0.32
Statistical Significance
0.0508
Supporting Reference Compounds
425
E-value
395.552
Click to view 3D structureMetabotropic glutamate receptor 4Q68EF4Mus musculusPredicted (SEA)
Prediction Confidence Score
0.271
Applicability Domain
0.271 Low confidence
Statistical Significance
3.70e-04
Supporting Reference Compounds
1
E-value
2.88042
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.268
Applicability Domain
0.286 Low confidence
Statistical Significance
0.0839
Supporting Reference Compounds
407
E-value
653.233
Alpha-ketoglutarate-dependent dioxygenase FTO structureClick to view 3D structureAlpha-ketoglutarate-dependent dioxygenase FTOQ9C0B1HumansPredicted (SEA)
Prediction Confidence Score
0.267
Applicability Domain
0.278 Low confidence
Statistical Significance
0.0037
Supporting Reference Compounds
36
E-value
28.4928
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.265
Applicability Domain
0.286 Low confidence
Statistical Significance
0.0874
Supporting Reference Compounds
372
E-value
680.324
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.265
Applicability Domain
0.286 Low confidence
Statistical Significance
0.0773
Supporting Reference Compounds
332
E-value
601.93
Click to view 3D structureCarbonic anhydraseQ6FTL6Candida glabrata CBS 138Predicted (SEA)
Prediction Confidence Score
0.264
Applicability Domain
0.286 Low confidence
Statistical Significance
0.0138
Supporting Reference Compounds
46
E-value
107.821
Beta-carbonic anhydrase 1 structureClick to view 3D structureBeta-carbonic anhydrase 1P9WPJ7Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.264
Applicability Domain
0.286 Low confidence
Statistical Significance
0.0143
Supporting Reference Compounds
55
E-value
111.48
Click to view 3D structureCarbonic anhydrase 5B, mitochondrialQ9Y2D0HumansPredicted (SEA)
Prediction Confidence Score
0.264
Applicability Domain
0.286 Low confidence
Statistical Significance
0.0299
Supporting Reference Compounds
157
E-value
233.003
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available