Chuangxinmycin (CED0023800)

Record Information

Version

1.0

Creation Date

2026-03-31 20:58:35 UTC

Update Date

2026-05-20 19:29:04 UTC

SynCED ID

CED0023800

Secondary Accession Numbers

CHEM057928

Identification

Common Name

Chuangxinmycin

Class

Small Molecule

Description

Chuangxinmycin is an organoheterocyclic compound with the formula C12H11N1O2S1 and an average molecular weight of 233.29 g/mol. Chuangxinmycin belongs to the indoles, a subclass of indoles and derivatives within the organic compounds. This substance is found in or released from healthcare, pharmaceuticals, and veterinary products, specifically antibiotics. Recorded exposure routes for the compound include inhalation and oral administration.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₂H₁₁N₁O₂S₁

Average Molecular Mass

233.290 g/mol

Monoisotopic Mass

233.051 g/mol

CAS Registry Number

63339-68-4

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

C[C@@H]1[C@@H](SC2=CC=CC3=C2C1=CN3)C(O)=O

InChI Identifier

InChI=1S/C12H11NO2S/c1-6-7-5-13-8-3-2-4-9(10(7)8)16-11(6)12(14)15/h2-6,11,13H,1H3,(H,14,15)/t6-,11+/m0/s1

InChI Key

DKHFLDXCKWDVMF-UPONEAKYSA-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
1429.0 Log mg/kg [800:2500]	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	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000306	Antibiotics?Antibiotics are synthetic or semi-synthetic compounds used to treat bacterial infections in humans and animals.	Healthcare, pharmaceuticals & veterinary products	Not Available
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	Not Available

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	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.286 Applicability Domain 0.293 Low confidence Statistical Significance 0.1108 Supporting Reference Compounds 955 E-value 862.336
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	Prediction Confidence Score 0.285 Applicability Domain 0.293 Low confidence Statistical Significance 0.1037 Supporting Reference Compounds 953 E-value 807.141
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	Prediction Confidence Score 0.285 Applicability Domain 0.293 Low confidence Statistical Significance 0.0793 Supporting Reference Compounds 686 E-value 617.734
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	Prediction Confidence Score 0.282 Applicability Domain 0.288 Low confidence Statistical Significance 0.1078 Supporting Reference Compounds 861 E-value 838.903
Click to view 3D structure	5-hydroxytryptamine receptor 6	P50406	Humans	Predicted (SEA)	Prediction Confidence Score 0.282 Applicability Domain 0.288 Low confidence Statistical Significance 0.0688 Supporting Reference Compounds 536 E-value 535.369
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.282 Applicability Domain 0.288 Low confidence Statistical Significance 0.1341 Supporting Reference Compounds 1103 E-value 1044.19
Click to view 3D structure	5-hydroxytryptamine receptor 7	P34969	Humans	Predicted (SEA)	Prediction Confidence Score 0.282 Applicability Domain 0.288 Low confidence Statistical Significance 0.0742 Supporting Reference Compounds 565 E-value 577.486
Click to view 3D structure	D(4) dopamine receptor	P21917	Humans	Predicted (SEA)	Prediction Confidence Score 0.282 Applicability Domain 0.288 Low confidence Statistical Significance 0.0865 Supporting Reference Compounds 524 E-value 673.162
Click to view 3D structure	5-hydroxytryptamine receptor 5A	P47898	Humans	Predicted (SEA)	Prediction Confidence Score 0.278 Applicability Domain 0.283 Low confidence Statistical Significance 0.032 Supporting Reference Compounds 225 E-value 248.884
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.276 Applicability Domain 0.288 Low confidence Statistical Significance 0.1263 Supporting Reference Compounds 823 E-value 983.002
Click to view 3D structure	5-hydroxytryptamine receptor 1D	P28221	Humans	Predicted (SEA)	Prediction Confidence Score 0.275 Applicability Domain 0.283 Low confidence Statistical Significance 0.0595 Supporting Reference Compounds 365 E-value 463.047
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.274 Applicability Domain 0.293 Low confidence Statistical Significance 0.0976 Supporting Reference Compounds 541 E-value 759.653
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P14842	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.273 Applicability Domain 0.283 Low confidence Statistical Significance 0.074 Supporting Reference Compounds 380 E-value 575.773
Click to view 3D structure	5-hydroxytryptamine receptor 1E	P28566	Humans	Predicted (SEA)	Prediction Confidence Score 0.273 Applicability Domain 0.283 Low confidence Statistical Significance 0.0223 Supporting Reference Compounds 139 E-value 173.604
Click to view 3D structure	D(1B) dopamine receptor	P21918	Humans	Predicted (SEA)	Prediction Confidence Score 0.273 Applicability Domain 0.283 Low confidence Statistical Significance 0.0435 Supporting Reference Compounds 209 E-value 338.8
Click to view 3D structure	Beta-1 adrenergic receptor	P08588	Humans	Predicted (SEA)	Prediction Confidence Score 0.272 Applicability Domain 0.288 Low confidence Statistical Significance 0.0262 Supporting Reference Compounds 180 E-value 204.043
Click to view 3D structure	Histamine H1 receptor	P35367	Humans	Predicted (SEA)	Prediction Confidence Score 0.269 Applicability Domain 0.279 Low confidence Statistical Significance 0.1084 Supporting Reference Compounds 507 E-value 844.275
Click to view 3D structure	D(2) dopamine receptor	P61169	Rat	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.293 Low confidence Statistical Significance 0.1112 Supporting Reference Compounds 528 E-value 865.372
Click to view 3D structure	D(1A) dopamine receptor	P21728	Humans	Predicted (SEA)	Prediction Confidence Score 0.266 Applicability Domain 0.288 Low confidence Statistical Significance 0.088 Supporting Reference Compounds 425 E-value 685.385
Click to view 3D structure	Alpha-2A adrenergic receptor	P08913	Humans	Predicted (SEA)	Prediction Confidence Score 0.261 Applicability Domain 0.288 Low confidence Statistical Significance 0.1165 Supporting Reference Compounds 487 E-value 907.255
Click to view 3D structure	D(1A) dopamine receptor	P18901	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.26 Applicability Domain 0.293 Low confidence Statistical Significance 0.0566 Supporting Reference Compounds 206 E-value 440.938
Click to view 3D structure	Alpha-2C adrenergic receptor	P18825	Humans	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.288 Low confidence Statistical Significance 0.094 Supporting Reference Compounds 386 E-value 732.172
Click to view 3D structure	5-hydroxytryptamine receptor 1B	P28222	Humans	Predicted (SEA)	Prediction Confidence Score 0.254 Applicability Domain 0.283 Low confidence Statistical Significance 0.1154 Supporting Reference Compounds 337 E-value 898.536
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P35363	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.253 Applicability Domain 0.288 Low confidence Statistical Significance 0.0177 Supporting Reference Compounds 47 E-value 138.105
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P08909	Rat	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.279 Low confidence Statistical Significance 0.0864 Supporting Reference Compounds 185 E-value 672.773