(1s,16s)-16-methoxy-5-oxa-10-azatetracyclo[8.7.0.01,13.02,7]heptadeca-2(7),13-dien-4-one (CED0072702)

Record Information

Version

1.0

Creation Date

2026-08-19 16:51:42 UTC

Update Date

2026-08-19 16:51:42 UTC

SynCED ID

CED0072702

Secondary Accession Numbers

CHEM189687

Identification

Common Name

(1s,16s)-16-methoxy-5-oxa-10-azatetracyclo[8.7.0.01,13.02,7]heptadeca-2(7),13-dien-4-one

Class

Small Molecule

Description

(1s,16s)-16-methoxy-5-oxa-10-azatetracyclo[8.7.0.01,13.02,7]heptadeca-2(7),13-dien-4-one belongs to the indoles and derivatives, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C16H21NO3 and an average molecular weight of 275.34 g/mol. It has been found in or released from two recorded sources: antennas and radio transmission systems within electrical and electronic equipment.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₆H₂₁NO₃

Average Molecular Mass

275.340 g/mol

Monoisotopic Mass

275.152 g/mol

CAS Registry Number

23255-54-1

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3/t13-,16-/m0/s1

InChI Key

ALSKYCOJJPXPFS-BBRMVZONSA-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

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
CEDs000506	Antennas?Antennas, commonly used in communication technologies, can be a source of synthetic chemical contamination through the materials and coatings used in their construction.	Electrical & Electronic Equipment	PubChem
CEDs000530	Radio Transmission Systems?Radio transmission systems utilize a variety of synthetic chemicals in their manufacturing and maintenance processes.	Electrical & Electronic Equipment	PubChem
CEDs000545	Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.	Food, food processing & cookware	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	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	Neuronal acetylcholine receptor subunit alpha-4	P09483	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.279 Applicability Domain 1.0 Statistical Significance 2.30e-04 Supporting Reference Compounds 7 E-value 1.79053
Click to view 3D structure	Glucocorticoid receptor	P04150	Humans	Predicted (SEA)	Prediction Confidence Score 0.177 Applicability Domain 0.198 Low confidence Statistical Significance 0.6462 Supporting Reference Compounds 154 E-value 5030.62
Click to view 3D structure	Androgen receptor	P10275	Humans	Predicted (SEA)	Prediction Confidence Score 0.175 Applicability Domain 0.198 Low confidence Statistical Significance 0.6926 Supporting Reference Compounds 146 E-value 5391.92
Click to view 3D structure	Estrogen receptor	P03372	Humans	Predicted (SEA)	Prediction Confidence Score 0.175 Applicability Domain 0.198 Low confidence Statistical Significance 0.7423 Supporting Reference Compounds 201 E-value 5778.51
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.174 Applicability Domain 0.183 Low confidence Statistical Significance 0.9587 Supporting Reference Compounds 823 E-value 7463.56
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	Prediction Confidence Score 0.174 Applicability Domain 0.183 Low confidence Statistical Significance 0.921 Supporting Reference Compounds 385 E-value 7169.84
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.174 Applicability Domain 0.183 Low confidence Statistical Significance 0.9208 Supporting Reference Compounds 373 E-value 7168.51
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	Prediction Confidence Score 0.174 Applicability Domain 0.183 Low confidence Statistical Significance 0.8898 Supporting Reference Compounds 310 E-value 6927.02
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	Prediction Confidence Score 0.174 Applicability Domain 0.183 Low confidence Statistical Significance 0.873 Supporting Reference Compounds 297 E-value 6796.24
Click to view 3D structure	Aurora kinase B	Q96GD4	Humans	Predicted (SEA)	Prediction Confidence Score 0.174 Applicability Domain 0.183 Low confidence Statistical Significance 0.9588 Supporting Reference Compounds 1017 E-value 7464.18
Click to view 3D structure	Potassium voltage-gated channel subfamily KQT member 4	Q9JK96	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.173 Applicability Domain 0.173 Low confidence Statistical Significance 0.0655 Supporting Reference Compounds 1 E-value 509.679
Click to view 3D structure	Cyclin-dependent kinase 2	P24941	Humans	Predicted (SEA)	Prediction Confidence Score 0.173 Applicability Domain 0.183 Low confidence Statistical Significance 0.9627 Supporting Reference Compounds 1029 E-value 7494.78
Click to view 3D structure	Alpha-2A adrenergic receptor	P08913	Humans	Predicted (SEA)	Prediction Confidence Score 0.173 Applicability Domain 0.183 Low confidence Statistical Significance 0.9387 Supporting Reference Compounds 487 E-value 7308.02
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.173 Applicability Domain 0.183 Low confidence Statistical Significance 0.9666 Supporting Reference Compounds 955 E-value 7524.83
Click to view 3D structure	Mineralocorticoid receptor	P08235	Humans	Predicted (SEA)	Prediction Confidence Score 0.172 Applicability Domain 0.198 Low confidence Statistical Significance 0.5402 Supporting Reference Compounds 74 E-value 4205.73
Click to view 3D structure	Alpha-2B adrenergic receptor	P18089	Humans	Predicted (SEA)	Prediction Confidence Score 0.172 Applicability Domain 0.183 Low confidence Statistical Significance 0.9044 Supporting Reference Compounds 340 E-value 7040.53
Click to view 3D structure	D(1A) dopamine receptor	P21728	Humans	Predicted (SEA)	Prediction Confidence Score 0.172 Applicability Domain 0.183 Low confidence Statistical Significance 0.9168 Supporting Reference Compounds 425 E-value 7137.22
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	Prediction Confidence Score 0.172 Applicability Domain 0.183 Low confidence Statistical Significance 0.9584 Supporting Reference Compounds 861 E-value 7460.91
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	Prediction Confidence Score 0.172 Applicability Domain 0.183 Low confidence Statistical Significance 0.9756 Supporting Reference Compounds 1660 E-value 7594.66
Click to view 3D structure	5-hydroxytryptamine receptor 6	P50406	Humans	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.183 Low confidence Statistical Significance 0.9363 Supporting Reference Compounds 536 E-value 7288.94
Click to view 3D structure	Histamine H1 receptor	P35367	Humans	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.183 Low confidence Statistical Significance 0.9442 Supporting Reference Compounds 507 E-value 7350.68
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.183 Low confidence Statistical Significance 0.9685 Supporting Reference Compounds 686 E-value 7539.46
Click to view 3D structure	Histamine H2 receptor	P25021	Humans	Predicted (SEA)	Prediction Confidence Score 0.17 Applicability Domain 0.183 Low confidence Statistical Significance 0.8983 Supporting Reference Compounds 256 E-value 6993.27
Click to view 3D structure	Sex hormone-binding globulin	P04278	Humans	Predicted (SEA)	Prediction Confidence Score 0.17 Applicability Domain 0.188 Low confidence Statistical Significance 0.0256 Supporting Reference Compounds 33 E-value 199.216
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	Prediction Confidence Score 0.17 Applicability Domain 0.183 Low confidence Statistical Significance 0.9801 Supporting Reference Compounds 1301 E-value 7630.16