(2S,4Z)-5-amino-2-(dibenzylamino)-1,6-diphenylhex-4-en-3-one (CED0189991)

Record Information

Version

1.0

Creation Date

2026-03-26 22:08:41 UTC

Update Date

2026-05-20 17:45:57 UTC

Accession Number

CHEM056559

Identification

Common Name

(2S,4Z)-5-amino-2-(dibenzylamino)-1,6-diphenylhex-4-en-3-one

Class

Small Molecule

Description

(2S,4Z)-5-amino-2-(dibenzylamino)-1,6-diphenylhex-4-en-3-one belongs to the phenethylamines, a subclass of benzene and substituted derivatives within the organic compounds. This compound has the chemical formula C32H32N2O1. It has been identified in one recorded source, specifically drinking water and water supply. The recorded route of exposure for this substance is oral.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₃₂H₃₂N₂O₁

Average Molecular Mass

Not Available

Monoisotopic Mass

460.251 g/mol

CAS Registry Number

156732-13-7

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C32H32N2O/c33-30(21-26-13-5-1-6-14-26)23-32(35)31(22-27-15-7-2-8-16-27)34(24-28-17-9-3-10-18-28)25-29-19-11-4-12-20-29/h1-20,23,31H,21-22,24-25,33H2

InChI Key

IVYLNCUETJNNJU-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

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
209.0	Log mg/kg	[120:370]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
115	Drinking water	Drinking water & water supply	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	Protein-glutamine gamma-glutamyltransferase	Q7M0F8	Cavia porcellus	Predicted (SEA)	1.79053
Click to view 3D structure	Mast cell carboxypeptidase A	P15088	Humans	Predicted (SEA)	8.56341
Click to view 3D structure	Solute carrier family 15 member 1	P46059	Humans	Predicted (SEA)	36.4334
Click to view 3D structure	Carboxypeptidase A1	P15085	Humans	Predicted (SEA)	32.7745
Click to view 3D structure	Serine racemase	Q9GZT4	Humans	Predicted (SEA)	18.606
Click to view 3D structure	Neprilysin	P08473	Humans	Predicted (SEA)	106.576
Click to view 3D structure	Cytosol aminopeptidase	P28838	Humans	Predicted (SEA)	71.232
Click to view 3D structure	Carboxypeptidase A1	P00730	Bos taurus	Predicted (SEA)	10.5875
Click to view 3D structure	Neprilysin	P07861	Rattus norvegicus	Predicted (SEA)	110.312
Click to view 3D structure	Calpain-1 catalytic subunit	P07384	Humans	Predicted (SEA)	116.385
Click to view 3D structure	Neprilysin	P08049	Oryctolagus cuniculus	Predicted (SEA)	129.852
Click to view 3D structure	Procathepsin L	P07711	Humans	Predicted (SEA)	279.946
Click to view 3D structure	Aminopeptidase B	O09175	Rattus norvegicus	Predicted (SEA)	26.7801
Click to view 3D structure	Cathepsin B	P07858	Humans	Predicted (SEA)	290.533
Click to view 3D structure	Aminopeptidase N	P15144	Humans	Predicted (SEA)	170.49
Click to view 3D structure	Delta-type opioid receptor	P41143	Humans	Predicted (SEA)	623.261
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	907.722
Click to view 3D structure	Angiotensin-converting enzyme	P12821	Humans	Predicted (SEA)	212.373
Click to view 3D structure	Leukotriene A-4 hydrolase	P09960	Humans	Predicted (SEA)	138.105
Click to view 3D structure	Delta-type opioid receptor	P33533	Rattus norvegicus	Predicted (SEA)	376.401
Click to view 3D structure	Peptidyl-glycine alpha-amidating monooxygenase	P19021	Humans	Predicted (SEA)	70.3757
Click to view 3D structure	Glucose-6-phosphatase catalytic subunit 1	P35575	Humans	Predicted (SEA)	1.40129
Click to view 3D structure	Calpain-1 catalytic subunit	P00789	Gallus gallus	Predicted (SEA)	49.1229
Click to view 3D structure	Cytosol aminopeptidase	P00727	Bos taurus	Predicted (SEA)	86.5683
Click to view 3D structure	Neprilysin	Q61391	Mus musculus	Predicted (SEA)	85.9455