(4s,6s,7r,8s)-11-amino-8-(hydroxymethyl)-7-methoxy-12-methyl-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-diene-10,13-dione (CED0156455)

Record Information

Version

1.0

Creation Date

2026-08-19 06:12:53 UTC

Update Date

2026-08-19 06:12:53 UTC

SynCED ID

CED0156455

Secondary Accession Numbers

CHEM179368

Identification

Common Name

(4s,6s,7r,8s)-11-amino-8-(hydroxymethyl)-7-methoxy-12-methyl-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-diene-10,13-dione

Class

Small Molecule

Description

(4s,6s,7r,8s)-11-amino-8-(hydroxymethyl)-7-methoxy-12-methyl-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-diene-10,13-dione belongs to the indolequinones, a subclass of indoles and derivatives within the organic compounds. This organoheterocyclic compound has the formula C14H17N3O4 and an average molecular weight of 291.30 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₄H₁₇N₃O₄

Average Molecular Mass

291.300 g/mol

Monoisotopic Mass

291.122 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C14H17N3O4/c1-5-9(15)12(20)8-6(4-18)14(21-2)13-7(16-13)3-17(14)10(8)11(5)19/h6-7,13,16,18H,3-4,15H2,1-2H3/t6-,7+,13+,14-/m1/s1

InChI Key

OUADMZZEIRSDSG-NKFUZKMXSA-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
45.0 Log mg/kg [30:80]	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
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	PubChem
CEDs000514	Discharge Lamps?Discharge lamps, including fluorescent and high-intensity discharge (HID) lamps, are commonly used for lighting applications due to their energy efficiency and brightness.	Electrical & Electronic Equipment	PubChem
CEDs000524	Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.	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
CEDs000662	Yarns Or Threads?Yarns or threads used in textiles can be a source of synthetic chemical contamination due to the production processes and treatments they undergo.	Textiles, leather & furnishings	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	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.192 Applicability Domain 0.211 Low confidence Statistical Significance 0.6134 Supporting Reference Compounds 372 E-value 4775.66
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.192 Applicability Domain 0.211 Low confidence Statistical Significance 0.6753 Supporting Reference Compounds 472 E-value 5257.16
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.192 Applicability Domain 0.211 Low confidence Statistical Significance 0.5149 Supporting Reference Compounds 242 E-value 4008.69
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.192 Applicability Domain 0.211 Low confidence Statistical Significance 0.6216 Supporting Reference Compounds 407 E-value 4839.5
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	Prediction Confidence Score 0.189 Applicability Domain 0.211 Low confidence Statistical Significance 0.3866 Supporting Reference Compounds 151 E-value 3009.65
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	Prediction Confidence Score 0.189 Applicability Domain 0.211 Low confidence Statistical Significance 0.4688 Supporting Reference Compounds 193 E-value 3649.73
Click to view 3D structure	Carbonic anhydrase 13	Q8N1Q1	Humans	Predicted (SEA)	Prediction Confidence Score 0.189 Applicability Domain 0.211 Low confidence Statistical Significance 0.2991 Supporting Reference Compounds 92 E-value 2328.7
Click to view 3D structure	Carbonic anhydrase 5B, mitochondrial	Q9Y2D0	Humans	Predicted (SEA)	Prediction Confidence Score 0.183 Applicability Domain 0.205 Low confidence Statistical Significance 0.4325 Supporting Reference Compounds 157 E-value 3366.75
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.177 Applicability Domain 0.205 Low confidence Statistical Significance 0.7479 Supporting Reference Compounds 332 E-value 5822.5
Click to view 3D structure	Thymidine kinase 2	D3ZGQ2	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.175 Applicability Domain 0.175 Low confidence Statistical Significance 0.0589 Supporting Reference Compounds 1 E-value 458.221
Click to view 3D structure	Mu-type opioid receptor	P35372	Humans	Predicted (SEA)	Prediction Confidence Score 0.174 Applicability Domain 0.189 Low confidence Statistical Significance 0.9263 Supporting Reference Compounds 527 E-value 7210.94
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.172 Applicability Domain 0.213 Low confidence Statistical Significance 0.9835 Supporting Reference Compounds 1130 E-value 7656.32
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.172 Applicability Domain 0.213 Low confidence Statistical Significance 0.9872 Supporting Reference Compounds 1245 E-value 7685.27
Click to view 3D structure	Alpha-1A adrenergic receptor	P43140	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.19 Low confidence Statistical Significance 0.7995 Supporting Reference Compounds 208 E-value 6224.2
Click to view 3D structure	Synaptic vesicle glycoprotein 2A	Q02563	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.169 Applicability Domain 0.169 Low confidence Statistical Significance 0.0109 Supporting Reference Compounds 1 E-value 84.5443
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.169 Applicability Domain 0.213 Low confidence Statistical Significance 0.9925 Supporting Reference Compounds 1538 E-value 7726.77
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	Prediction Confidence Score 0.169 Applicability Domain 0.213 Low confidence Statistical Significance 0.9837 Supporting Reference Compounds 825 E-value 7657.72
Click to view 3D structure	Sodium/iodide cotransporter	Q63008	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.169 Applicability Domain 0.169 Low confidence Statistical Significance 0.1635 Supporting Reference Compounds 1 E-value 1272.83
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	Prediction Confidence Score 0.169 Applicability Domain 0.184 Low confidence Statistical Significance 0.979 Supporting Reference Compounds 1660 E-value 7621.52
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.171 Low confidence Statistical Significance 0.9771 Supporting Reference Compounds 955 E-value 7606.73
Click to view 3D structure	Alpha-1D adrenergic receptor	P23944	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.19 Low confidence Statistical Significance 0.7271 Supporting Reference Compounds 105 E-value 5660.49
Click to view 3D structure	DNA topoisomerase 2	P15348	Drosophila melanogaster	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.167 Low confidence Statistical Significance 0.0103 Supporting Reference Compounds 1 E-value 80.029
Click to view 3D structure	Platelet-derived growth factor receptor beta	P09619	Humans	Predicted (SEA)	Prediction Confidence Score 0.165 Applicability Domain 0.184 Low confidence Statistical Significance 0.9552 Supporting Reference Compounds 597 E-value 7435.85
Click to view 3D structure	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform	Q8BTI9	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.165 Applicability Domain 0.165 Low confidence Statistical Significance 0.2242 Supporting Reference Compounds 1 E-value 1745.46
Click to view 3D structure	Serine/threonine-protein kinase mTOR	P42345	Humans	Predicted (SEA)	Prediction Confidence Score 0.165 Applicability Domain 0.174 Low confidence Statistical Significance 0.9282 Supporting Reference Compounds 403 E-value 7225.81