3-((4-Fluorophenyl)carbonyl)-2-(2-methylpropanoyl)-N,3-diphenyloxirane-2-carboxamide (CED0112774)

Record Information

Version

1.0

Creation Date

2026-04-06 04:39:15 UTC

Update Date

2026-04-06 04:39:15 UTC

SynCED ID

CED0112774

Secondary Accession Numbers

CHEM117580

Identification

Common Name

3-((4-Fluorophenyl)carbonyl)-2-(2-methylpropanoyl)-N,3-diphenyloxirane-2-carboxamide

Class

Small Molecule

Description

3-((4-Fluorophenyl)carbonyl)-2-(2-methylpropanoyl)-N,3-diphenyloxirane-2-carboxamide belongs to the stilbenes, a class of phenylpropanoids and polyketides within the organic compounds. This compound has the chemical formula C26H22FNO4.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₆H₂₂FNO₄

Average Molecular Mass

Not Available

Monoisotopic Mass

431.153 g/mol

CAS Registry Number

148146-51-4

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C26H22FNO4/c1-17(2)22(29)26(24(31)28-21-11-7-4-8-12-21)25(32-26,19-9-5-3-6-10-19)23(30)18-13-15-20(27)16-14-18/h3-17H,1-2H3,(H,28,31)

InChI Key

AAEQXEDPVFIFDK-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
1641.0 Log mg/kg [920:2900]	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
CEDs000592	Marine Propulsion Or Steering?Marine propulsion and steering systems often rely on various synthetic chemicals, including lubricants, fuels, and hydraulic fluids.	Marine, shipping & aquaculture	PubChem
CEDs000594	Ship Hulls?Ship hulls are often treated with various synthetic chemicals to enhance durability, prevent corrosion, and inhibit the growth of marine organisms.	Marine, shipping & aquaculture	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
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	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	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.251 Applicability Domain 0.29 Low confidence Statistical Significance 0.2916 Supporting Reference Compounds 1103 E-value 2270.08
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.24 Applicability Domain 0.29 Low confidence Statistical Significance 0.3879 Supporting Reference Compounds 955 E-value 3019.62
Click to view 3D structure	D(2) dopamine receptor	P61169	Rat	Predicted (SEA)	Prediction Confidence Score 0.239 Applicability Domain 0.284 Low confidence Statistical Significance 0.2285 Supporting Reference Compounds 528 E-value 1779.17
Click to view 3D structure	D(4) dopamine receptor	P21917	Humans	Predicted (SEA)	Prediction Confidence Score 0.238 Applicability Domain 0.29 Low confidence Statistical Significance 0.2841 Supporting Reference Compounds 524 E-value 2212.01
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.237 Applicability Domain 0.269 Low confidence Statistical Significance 0.6652 Supporting Reference Compounds 1245 E-value 5178.69
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.234 Applicability Domain 0.29 Low confidence Statistical Significance 0.4195 Supporting Reference Compounds 823 E-value 3265.85
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	Prediction Confidence Score 0.233 Applicability Domain 0.29 Low confidence Statistical Significance 0.4243 Supporting Reference Compounds 953 E-value 3303.22
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.231 Applicability Domain 0.25 Low confidence Statistical Significance 0.7511 Supporting Reference Compounds 1498 E-value 5847.64
Click to view 3D structure	11-beta-hydroxysteroid dehydrogenase 1	P28845	Humans	Predicted (SEA)	Prediction Confidence Score 0.229 Applicability Domain 0.269 Low confidence Statistical Significance 0.0258 Supporting Reference Compounds 76 E-value 201.162
Click to view 3D structure	Histamine H1 receptor	P35367	Humans	Predicted (SEA)	Prediction Confidence Score 0.227 Applicability Domain 0.29 Low confidence Statistical Significance 0.3968 Supporting Reference Compounds 507 E-value 3089.45
Click to view 3D structure	Sodium-dependent serotonin transporter	P31652	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.226 Applicability Domain 0.24 Low confidence Statistical Significance 0.2081 Supporting Reference Compounds 297 E-value 1620.12
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P14842	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.225 Applicability Domain 0.237 Low confidence Statistical Significance 0.2929 Supporting Reference Compounds 380 E-value 2279.89
Click to view 3D structure	Metabotropic glutamate receptor 7	Q68ED2	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.224 Applicability Domain 0.224 Low confidence Statistical Significance 0.0051 Supporting Reference Compounds 1 E-value 39.4696
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P08909	Rat	Predicted (SEA)	Prediction Confidence Score 0.223 Applicability Domain 0.229 Low confidence Statistical Significance 0.207 Supporting Reference Compounds 185 E-value 1611.87
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	Prediction Confidence Score 0.221 Applicability Domain 0.237 Low confidence Statistical Significance 0.5485 Supporting Reference Compounds 861 E-value 4270.34
Click to view 3D structure	Alpha-1A adrenergic receptor	P43140	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.22 Applicability Domain 0.237 Low confidence Statistical Significance 0.2217 Supporting Reference Compounds 208 E-value 1725.92
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q9R0C9	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.22 Applicability Domain 0.235 Low confidence Statistical Significance 0.1907 Supporting Reference Compounds 207 E-value 1484.35
Click to view 3D structure	N-acetyltransferase Eis	P9WFK7	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	Predicted (SEA)	Prediction Confidence Score 0.218 Applicability Domain 0.284 Low confidence Statistical Significance 0.0167 Supporting Reference Compounds 7 E-value 130.32
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	Prediction Confidence Score 0.218 Applicability Domain 0.26 Low confidence Statistical Significance 0.756 Supporting Reference Compounds 825 E-value 5885.09
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	Prediction Confidence Score 0.218 Applicability Domain 0.225 Low confidence Statistical Significance 0.5154 Supporting Reference Compounds 562 E-value 4012.27
Click to view 3D structure	D(1A) dopamine receptor	P18901	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.218 Applicability Domain 0.284 Low confidence Statistical Significance 0.2102 Supporting Reference Compounds 206 E-value 1636.31
Click to view 3D structure	Prostaglandin G/H synthase 2	P35354	Humans	Predicted (SEA)	Prediction Confidence Score 0.215 Applicability Domain 0.226 Low confidence Statistical Significance 0.2937 Supporting Reference Compounds 201 E-value 2286.67
Click to view 3D structure	Histone deacetylase 7	Q8WUI4	Humans	Predicted (SEA)	Prediction Confidence Score 0.215 Applicability Domain 0.236 Low confidence Statistical Significance 0.2741 Supporting Reference Compounds 148 E-value 2134.16
Click to view 3D structure	Prostaglandin G/H synthase 1	P23219	Humans	Predicted (SEA)	Prediction Confidence Score 0.214 Applicability Domain 0.226 Low confidence Statistical Significance 0.2153 Supporting Reference Compounds 136 E-value 1676.48
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.214 Applicability Domain 0.26 Low confidence Statistical Significance 0.8902 Supporting Reference Compounds 1538 E-value 6930.06