8-Hydroxynaphthalenesulphonic acid (CED0191534)

Record Information
Version1.0
Creation Date2026-04-04 18:33:46 UTC
Update Date2026-08-18 05:59:10 UTC
SynCED IDCED0191534
Secondary Accession Numbers
  • CHEM077811
Identification
Common Name8-Hydroxynaphthalenesulphonic acid
ClassSmall Molecule
Description
8-Hydroxynaphthalenesulphonic acid belongs to the naphthalene sulfonic acids and derivatives, a subclass of naphthalenes within the organic compounds. This benzenoid compound has the formula C10H8O4S and an average molecular weight of 224.23 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC10H8O4S
Average Molecular Mass224.230 g/mol
Monoisotopic Mass224.014 g/mol
CAS Registry Number117-22-6
IUPAC NameNot Available
Traditional NameNot Available
SMILESOC1=C2C(C=CC=C2S(O)(=O)=O)=CC=C1
InChI IdentifierInChI=1/C10H8O4S/c11-8-5-1-3-7-4-2-6-9(10(7)8)15(12,13)14/h1-6,11H,(H,12,13,14)
InChI KeyZPLBZGGKAUXTRT-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
6846.0 Log mg/kg [3800:12000]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
CEDs000631Anthraquinone Dyes?Anthraquinone dyes are a class of synthetic organic compounds characterized by their vibrant colors and stability, making them widely used in various applications, particularly in coloring textiles and leather.Textiles, leather & furnishingsPubChem
CEDs000633Azo Dyes?Azo dyes are synthetic organic compounds characterized by the presence of one or more azo groups (-N=N-), which are widely used for coloring textiles, leather, and furnishings.Textiles, leather & furnishingsPubChem
CEDs000648Nitro Dyes?Nitro dyes are synthetic colorants that contain nitro groups (-NO2) in their chemical structure.Textiles, leather & furnishingsPubChem
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
CEDs000741Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.Paper, pulp & fiber productsPubChem
CEDs000742Leather Tanning?Leather tanning is a process that transforms raw animal hides into durable leather through the application of various chemicals, including chromium salts, aldehydes, and vegetable tannins.Textiles, leather & furnishingsPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Beta-carbonic anhydrase 1 structureClick to view 3D structureBeta-carbonic anhydrase 1P9WPJ7Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.257
Applicability Domain
0.303
Statistical Significance
0.0166
Supporting Reference Compounds
55
E-value
129.463
Cyclin-dependent kinase 2 structureClick to view 3D structureCyclin-dependent kinase 2P24941HumansPredicted (SEA)
Prediction Confidence Score
0.256
Applicability Domain
0.333
Statistical Significance
0.3129
Supporting Reference Compounds
1029
E-value
2435.75
Cytochrome P450 1A1 structureClick to view 3D structureCytochrome P450 1A1P04798HumansPredicted (SEA)
Prediction Confidence Score
0.256
Applicability Domain
0.317
Statistical Significance
0.0181
Supporting Reference Compounds
77
E-value
141.063
NAD-dependent histone deacetylase SIR2 structureClick to view 3D structureNAD-dependent histone deacetylase SIR2P06700Saccharomyces cerevisiae S288cPredicted (SEA)
Prediction Confidence Score
0.303
Applicability Domain
0.303
Statistical Significance
1.60e-04
Supporting Reference Compounds
1
E-value
1.24559
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.301
Applicability Domain
0.333
Statistical Significance
0.0456
Supporting Reference Compounds
472
E-value
354.681
Dual specificity protein phosphatase 3 structureClick to view 3D structureDual specificity protein phosphatase 3P51452HumansPredicted (SEA)
Prediction Confidence Score
0.297
Applicability Domain
0.37
Statistical Significance
0.0057
Supporting Reference Compounds
147
E-value
44.0627
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)
Prediction Confidence Score
0.295
Applicability Domain
0.367
Statistical Significance
0.0824
Supporting Reference Compounds
793
E-value
641.555
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.293
Applicability Domain
0.333
Statistical Significance
0.0454
Supporting Reference Compounds
407
E-value
353.747
Replicase polyprotein 1ab structureClick to view 3D structureReplicase polyprotein 1abP0DTD1SARS-CoV-2Predicted (SEA)
Prediction Confidence Score
0.287
Applicability Domain
0.378
Statistical Significance
0.0215
Supporting Reference Compounds
215
E-value
167.064
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.287
Applicability Domain
0.308
Statistical Significance
0.0433
Supporting Reference Compounds
332
E-value
337.399
Carbonic anhydrase 6 structureClick to view 3D structureCarbonic anhydrase 6P23280HumansPredicted (SEA)
Prediction Confidence Score
0.284
Applicability Domain
0.333
Statistical Significance
0.017
Supporting Reference Compounds
151
E-value
132.499
Thymidylate synthase structureClick to view 3D structureThymidylate synthaseP00469Lactobacillus caseiPredicted (SEA)
Prediction Confidence Score
0.279
Applicability Domain
0.313
Statistical Significance
0.0026
Supporting Reference Compounds
33
E-value
20.4743
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.275
Applicability Domain
0.303
Statistical Significance
0.0663
Supporting Reference Compounds
372
E-value
516.374
Click to view 3D structureNonstructural protein 1Q194T2Influenza A virusPredicted (SEA)
Prediction Confidence Score
0.272
Applicability Domain
0.37
Statistical Significance
0.0078
Supporting Reference Compounds
104
E-value
60.8781
Click to view 3D structureCarbonic anhydrase 5B, mitochondrialQ9Y2D0HumansPredicted (SEA)
Prediction Confidence Score
0.271
Applicability Domain
0.308
Statistical Significance
0.0244
Supporting Reference Compounds
157
E-value
190.108
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)
Prediction Confidence Score
0.271
Applicability Domain
0.303
Statistical Significance
0.0429
Supporting Reference Compounds
242
E-value
333.817
Sentrin-specific protease 7 structureClick to view 3D structureSentrin-specific protease 7Q9BQF6HumansPredicted (SEA)
Prediction Confidence Score
0.267
Applicability Domain
0.294 Low confidence
Statistical Significance
0.0353
Supporting Reference Compounds
118
E-value
274.496
Alpha-(1,6)-fucosyltransferase structureClick to view 3D structureAlpha-(1,6)-fucosyltransferaseQ9BYC5HumansPredicted (SEA)
Prediction Confidence Score
0.266
Applicability Domain
0.266 Low confidence
Statistical Significance
1.10e-04
Supporting Reference Compounds
1
E-value
0.856341
Click to view 3D structureTrans-cinnamate 4-monooxygenaseQ04468Helianthus tuberosusPredicted (SEA)
Prediction Confidence Score
0.263
Applicability Domain
0.263 Low confidence
Statistical Significance
0.0016
Supporting Reference Compounds
1
E-value
12.8451
Click to view 3D structureThymidylate synthaseC3SWJ7Escherichia coliPredicted (SEA)
Prediction Confidence Score
0.262
Applicability Domain
0.313
Statistical Significance
0.0024
Supporting Reference Compounds
24
E-value
19.0731
Mitogen-activated protein kinase 14 structureClick to view 3D structureMitogen-activated protein kinase 14Q16539HumansPredicted (SEA)
Prediction Confidence Score
0.262
Applicability Domain
0.528
Statistical Significance
0.2277
Supporting Reference Compounds
668
E-value
1773.02
Click to view 3D structureCarbonic anhydrase 15Q99N23Mus musculusPredicted (SEA)
Prediction Confidence Score
0.261
Applicability Domain
0.303
Statistical Significance
0.0189
Supporting Reference Compounds
78
E-value
146.824
Protein Tat structureClick to view 3D structureProtein TatP04608Human immunodeficiency virus type 1 group M subtype B (isolate HXB2)(HIV-1)Predicted (SEA)
Prediction Confidence Score
0.258
Applicability Domain
0.361
Statistical Significance
0.0126
Supporting Reference Compounds
108
E-value
97.8565
Click to view 3D structureThymidylate synthaseP0CS13Cryptococcus neoformans var. neoformans B-3501APredicted (SEA)
Prediction Confidence Score
0.258
Applicability Domain
0.298 Low confidence
Statistical Significance
1.00e-04
Supporting Reference Compounds
7
E-value
0.778492
Transthyretin structureClick to view 3D structureTransthyretinP02766HumansPredicted (SEA)
Prediction Confidence Score
0.257
Applicability Domain
0.528
Statistical Significance
0.0112
Supporting Reference Compounds
55
E-value
87.5025
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available