1h-indole-2,3-diol (CED0217260)

Record Information

Version

1.0

Creation Date

2026-08-25 01:38:24 UTC

Update Date

2026-08-25 01:38:24 UTC

Accession Number

CHEM257925

Identification

Common Name

1h-indole-2,3-diol

Class

Small Molecule

Description

1h-indole-2,3-diol is an organic compound with the formula C8H7NO2 and an average molecular weight of 149.15 g/mol. 1h-indole-2,3-diol belongs to the hydroxyindoles, a subclass of indoles and derivatives within the organic compounds. This organoheterocyclic compound has been identified in one recorded source, specifically electrical and electronic equipment, including superconductive or hyperconductive conductors, cables, or transmission lines.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₈H₇NO₂

Average Molecular Mass

149.150 g/mol

Monoisotopic Mass

149.048 g/mol

CAS Registry Number

5638-85-7

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C8H7NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4,9-11H

InChI Key

PGNRLPTYNKQQDY-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

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-0900000000-e6fec97d169405d1999f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-0900000000-4abf2ea0e23f6356261a	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0zmi-6900000000-d4bfe968f17d18901ce3	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-0900000000-54c3c5510b73d573ba83	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000t-0900000000-41e04d27da1ce40c0797	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9700000000-aa9a4290873ccb176f87	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
1043.0	Log mg/kg	[590:1900]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
536	Superconductive Or Hyperconductive Conductors Cables Or Transmission Lines	Electrical & Electronic Equipment	Not Available
609	Aftershave	Personal care & cosmetics	Not Available
610	Aftersun Products	Personal care & cosmetics	Not Available

Pathways

0 pathways

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	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	514.661
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P14842	Rattus norvegicus	Predicted (SEA)	304.235
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	561.526
Click to view 3D structure	Serine/threonine-protein kinase pim-1	P11309	Humans	Predicted (SEA)	882.654
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	126.505
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	763.0
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	112.804
Click to view 3D structure	Cyclin-dependent kinase 5	Q00535	Humans	Predicted (SEA)	879.93
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	271.382
Click to view 3D structure	Indoleamine 2,3-dioxygenase 1	P14902	Humans	Predicted (SEA)	16.9711
Click to view 3D structure	Receptor-type tyrosine-protein kinase FLT3	P36888	Humans	Predicted (SEA)	527.818
Click to view 3D structure	Cyclin-dependent kinase 1	P06493	Humans	Predicted (SEA)	278.622
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	167.532
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	118.097
Click to view 3D structure	Aurora kinase C	Q9UQB9	Humans	Predicted (SEA)	95.7545
Click to view 3D structure	Poly [ADP-ribose] polymerase 1	P09874	Humans	Predicted (SEA)	48.9672
Click to view 3D structure	5-hydroxytryptamine receptor 5A	P47898	Humans	Predicted (SEA)	85.712
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Q13627	Humans	Predicted (SEA)	512.637
Click to view 3D structure	Aurora kinase B	Q96GD4	Humans	Predicted (SEA)	653.155
Click to view 3D structure	5-hydroxytryptamine receptor 6	P50406	Humans	Predicted (SEA)	262.663
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	109.456
Click to view 3D structure	Aurora kinase A	O14965	Humans	Predicted (SEA)	672.929
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	228.799
Click to view 3D structure	Rho-associated protein kinase 2	O75116	Humans	Predicted (SEA)	602.242
Click to view 3D structure	Polyunsaturated fatty acid 5-lipoxygenase	P09917	Humans	Predicted (SEA)	77.0707