3-hydroxy-4-[(4-methyl-3-sulfophenyl)diazenyl]naphthalene-2-carboxylic acid (CED0261491)

Record Information

Version

1.0

Creation Date

2026-08-29 05:53:00 UTC

Update Date

2026-08-29 05:53:00 UTC

SynCED ID

CED0261491

Secondary Accession Numbers

CHEM306410

Identification

Common Name

3-hydroxy-4-[(4-methyl-3-sulfophenyl)diazenyl]naphthalene-2-carboxylic acid

Class

Small Molecule

Description

3-hydroxy-4-[(4-methyl-3-sulfophenyl)diazenyl]naphthalene-2-carboxylic acid is a compound with the formula C18H14N2O6S. It has an average molecular weight of 386.40 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₈H₁₄N₂O₆S

Average Molecular Mass

Not Available

Monoisotopic Mass

386.057 g/mol

CAS Registry Number

118040-35-0

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC1=C(C=C(C=C1)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)O)O)S(=O)(=O)O

InChI Identifier

InChI=1S/C18H14N2O6S/c1-10-6-7-12(9-15(10)27(24,25)26)19-20-16-13-5-3-2-4-11(13)8-14(17(16)21)18(22)23/h2-9,21H,1H3,(H,22,23)(H,24,25,26)

InChI Key

ZGDOXNSJDDJHRV-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
7729.0 Log mg/kg [4300:14000]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000618	Lip 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 & cosmetics	PubChem
CEDs000717	Fountain Pens?Fountain pens utilize a liquid ink that often contains synthetic chemicals, including dyes, pigments, and solvents, which can contribute to environmental contamination.	Paper, pulp & fiber products	PubChem
CEDs000720	Ink Reservoir Pens2?Ink reservoir pens are writing instruments that utilize a reservoir to store ink, which is often composed of synthetic dyes, solvents, and additives.	Paper, pulp & fiber products	PubChem
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	PubChem

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Sentrin-specific protease 7	Q9BQF6	Humans	Predicted (SEA)	Prediction Confidence Score 0.333 Applicability Domain 0.371 Statistical Significance 0.0037 Supporting Reference Compounds 118 E-value 28.9599
Click to view 3D structure	Sentrin-specific protease 3	Q9H4L4	Humans	Predicted (SEA)	Prediction Confidence Score 0.326 Applicability Domain 0.371 Statistical Significance 5.00e-05 Supporting Reference Compounds 3 E-value 0.389246
Click to view 3D structure	Sentrin-specific protease 2	Q9HC62	Humans	Predicted (SEA)	Prediction Confidence Score 0.32 Applicability Domain 0.371 Statistical Significance 1.30e-04 Supporting Reference Compounds 10 E-value 1.01204
Click to view 3D structure	Acetolactate synthase	Q8S3J0	Bromus tectorum	Predicted (SEA)	Prediction Confidence Score 0.297 Applicability Domain 0.297 Low confidence Statistical Significance 4.50e-04 Supporting Reference Compounds 1 E-value 3.50322
Click to view 3D structure	Beta-ketoacyl-ACP-synthase III	O77078	Plasmodium falciparum	Predicted (SEA)	Prediction Confidence Score 0.288 Applicability Domain 0.288 Low confidence Statistical Significance 6.00e-04 Supporting Reference Compounds 1 E-value 4.67095
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.283 Applicability Domain 0.328 Statistical Significance 0.0568 Supporting Reference Compounds 407 E-value 442.261
Click to view 3D structure	Trans-cinnamate 4-monooxygenase	Q04468	Helianthus tuberosus	Predicted (SEA)	Prediction Confidence Score 0.283 Applicability Domain 0.283 Low confidence Statistical Significance 8.40e-04 Supporting Reference Compounds 1 E-value 6.53933
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.283 Applicability Domain 0.328 Statistical Significance 0.0704 Supporting Reference Compounds 472 E-value 547.825
Click to view 3D structure	Protein RecA	P9WHJ3	Mycobacterium tuberculosis	Predicted (SEA)	Prediction Confidence Score 0.28 Applicability Domain 0.306 Statistical Significance 0.0272 Supporting Reference Compounds 296 E-value 212.061
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 11	Q06124	Humans	Predicted (SEA)	Prediction Confidence Score 0.277 Applicability Domain 0.343 Statistical Significance 0.0113 Supporting Reference Compounds 109 E-value 87.8918
Click to view 3D structure	CREB-binding protein	Q92793	Humans	Predicted (SEA)	Prediction Confidence Score 0.276 Applicability Domain 0.295 Low confidence Statistical Significance 0.0045 Supporting Reference Compounds 66 E-value 34.9543
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	Prediction Confidence Score 0.275 Applicability Domain 0.329 Statistical Significance 0.1558 Supporting Reference Compounds 793 E-value 1213.12
Click to view 3D structure	Beta-lactamase	P00811	Escherichia coli (strain K12)	Predicted (SEA)	Prediction Confidence Score 0.274 Applicability Domain 0.407 Statistical Significance 6.00e-04 Supporting Reference Compounds 35 E-value 4.67095
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.274 Applicability Domain 0.291 Low confidence Statistical Significance 0.068 Supporting Reference Compounds 372 E-value 529.686
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	Prediction Confidence Score 0.274 Applicability Domain 0.343 Statistical Significance 0.0241 Supporting Reference Compounds 197 E-value 187.85
Click to view 3D structure	Carbonic anhydrase 15	Q99N23	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.272 Applicability Domain 0.291 Low confidence Statistical Significance 0.014 Supporting Reference Compounds 78 E-value 109.3
Click to view 3D structure	Induced myeloid leukemia cell differentiation protein Mcl-1	Q07820	Humans	Predicted (SEA)	Prediction Confidence Score 0.27 Applicability Domain 0.286 Low confidence Statistical Significance 0.0497 Supporting Reference Compounds 343 E-value 387.144
Click to view 3D structure	Transitional endoplasmic reticulum ATPase	Q01853	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.268 Applicability Domain 0.268 Low confidence Statistical Significance 2.40e-04 Supporting Reference Compounds 1 E-value 1.86838
Click to view 3D structure	Inhibitor of growth protein 2	Q9H160	Humans	Predicted (SEA)	Prediction Confidence Score 0.266 Applicability Domain 0.266 Low confidence Statistical Significance 0.0037 Supporting Reference Compounds 1 E-value 28.9599
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	Prediction Confidence Score 0.264 Applicability Domain 0.291 Low confidence Statistical Significance 0.0404 Supporting Reference Compounds 172 E-value 314.433
Click to view 3D structure	Carbonic anhydrase 5A, mitochondrial	P35218	Humans	Predicted (SEA)	Prediction Confidence Score 0.264 Applicability Domain 0.291 Low confidence Statistical Significance 0.0403 Supporting Reference Compounds 165 E-value 314.122
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.263 Applicability Domain 0.291 Low confidence Statistical Significance 0.0559 Supporting Reference Compounds 242 E-value 435.255
Click to view 3D structure	Alpha-(1,6)-fucosyltransferase	Q9BYC5	Humans	Predicted (SEA)	Prediction Confidence Score 0.263 Applicability Domain 0.263 Low confidence Statistical Significance 1.20e-04 Supporting Reference Compounds 1 E-value 0.934191
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.262 Applicability Domain 0.291 Low confidence Statistical Significance 0.0834 Supporting Reference Compounds 332 E-value 649.029
Click to view 3D structure	Carbonic anhydrase 3	P07451	Humans	Predicted (SEA)	Prediction Confidence Score 0.261 Applicability Domain 0.353 Statistical Significance 0.0167 Supporting Reference Compounds 64 E-value 130.242