[S-(R*,S*)]-a-[2-(dimethylamino)-1-methylethyl]-a-phenylphenethyl alcohol hydrochloride (CED0081604)

Record Information
Version1.0
Creation Date2026-04-06 11:49:32 UTC
Update Date2026-04-06 11:49:32 UTC
SynCED IDCED0081604
Secondary Accession Numbers
  • CHEM123658
Identification
Common Name[S-(R*,S*)]-a-[2-(dimethylamino)-1-methylethyl]-a-phenylphenethyl alcohol hydrochloride
ClassSmall Molecule
Description
[S-(R*,S*)]-a-[2-(dimethylamino)-1-methylethyl]-a-phenylphenethyl alcohol hydrochloride belongs to the stilbenes, a class of phenylpropanoids and polyketides within the organic compounds. This organic compound has the chemical formula C19H25N1O1.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC19H25N1O1
Average Molecular MassNot Available
Monoisotopic Mass283.194 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C19H25NO/c1-16(15-20(2)3)19(21,18-12-8-5-9-13-18)14-17-10-6-4-7-11-17/h4-13,16,21H,14-15H2,1-3H3/t16-,19+/m1/s1
InChI KeyINTCGJHAECYOBW-APWZRJJASA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
244.0 Log mg/kg [140:430]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000010Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.Agriculture & land managementPubChem
CEDs000511Conductors 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 EquipmentPubChem
CEDs000519Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.Electrical & Electronic EquipmentPubChem
CEDs000524Hybrid 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 EquipmentPubChem
CEDs000596Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.Agriculture & land managementPubChem
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsPubChem
CEDs000662Yarns 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 & furnishingsPubChem
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionPubChem
CEDs000735Explosives?Explosives are chemical compounds or mixtures designed to undergo rapid decomposition, releasing energy in the form of gas and heat.Defense & military infrastructurePubChem
CEDs000740Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.Paper, pulp & fiber productsPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureSodium-dependent dopamine transporterP23977Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.313
Applicability Domain
0.364
Statistical Significance
0.015
Supporting Reference Compounds
203
E-value
117.085
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)
Prediction Confidence Score
0.293
Applicability Domain
0.364
Statistical Significance
0.0433
Supporting Reference Compounds
451
E-value
336.931
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)
Prediction Confidence Score
0.293
Applicability Domain
0.364
Statistical Significance
0.0597
Supporting Reference Compounds
593
E-value
465.149
Click to view 3D structureSodium-dependent serotonin transporterP31652Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.293
Applicability Domain
0.364
Statistical Significance
0.0353
Supporting Reference Compounds
297
E-value
274.496
Trace amine-associated receptor 1 structureClick to view 3D structureTrace amine-associated receptor 1Q96RJ0HumansPredicted (SEA)
Prediction Confidence Score
0.285
Applicability Domain
0.351
Statistical Significance
0.0058
Supporting Reference Compounds
63
E-value
45.3082
Mu-type opioid receptor structureClick to view 3D structureMu-type opioid receptorP35372HumansPredicted (SEA)
Prediction Confidence Score
0.284
Applicability Domain
0.34
Statistical Significance
0.0943
Supporting Reference Compounds
527
E-value
733.807
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)
Prediction Confidence Score
0.28
Applicability Domain
0.321
Statistical Significance
0.0971
Supporting Reference Compounds
562
E-value
756.305
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)
Prediction Confidence Score
0.274
Applicability Domain
0.34
Statistical Significance
0.3117
Supporting Reference Compounds
1498
E-value
2426.87
Click to view 3D structureProtein-glutamine gamma-glutamyltransferaseQ7M0F8Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.268
Applicability Domain
0.286 Low confidence
Statistical Significance
0.0025
Supporting Reference Compounds
2
E-value
19.3845
Alpha-2A adrenergic receptor structureClick to view 3D structureAlpha-2A adrenergic receptorP08913HumansPredicted (SEA)
Prediction Confidence Score
0.262
Applicability Domain
0.311
Statistical Significance
0.1131
Supporting Reference Compounds
487
E-value
880.553
Click to view 3D structureSigma non-opioid intracellular receptor 1Q60492Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.262
Applicability Domain
0.286 Low confidence
Statistical Significance
0.0838
Supporting Reference Compounds
229
E-value
652.688
Amine oxidase [flavin-containing] A structureClick to view 3D structureAmine oxidase [flavin-containing] AP21396Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.261
Applicability Domain
0.311
Statistical Significance
0.018
Supporting Reference Compounds
66
E-value
140.129
Click to view 3D structureAmine oxidase [flavin-containing] BP19643Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.261
Applicability Domain
0.311
Statistical Significance
0.0233
Supporting Reference Compounds
77
E-value
181.544
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)
Prediction Confidence Score
0.261
Applicability Domain
0.34
Statistical Significance
0.1601
Supporting Reference Compounds
532
E-value
1246.44
Delta-type opioid receptor structureClick to view 3D structureDelta-type opioid receptorP41143HumansPredicted (SEA)
Prediction Confidence Score
0.261
Applicability Domain
0.34
Statistical Significance
0.1233
Supporting Reference Compounds
427
E-value
960.037
Click to view 3D structureNorepinephrine transporterQ9WTR4Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.261
Applicability Domain
0.364
Statistical Significance
0.0257
Supporting Reference Compounds
112
E-value
199.917
Click to view 3D structureSigma non-opioid intracellular receptor 1Q9R0C9Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.26
Applicability Domain
0.286 Low confidence
Statistical Significance
0.06
Supporting Reference Compounds
207
E-value
466.784
Amine oxidase [flavin-containing] B structureClick to view 3D structureAmine oxidase [flavin-containing] BP27338HumansPredicted (SEA)
Prediction Confidence Score
0.258
Applicability Domain
0.311
Statistical Significance
0.1047
Supporting Reference Compounds
315
E-value
815.315
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)
Prediction Confidence Score
0.258
Applicability Domain
0.273 Low confidence
Statistical Significance
0.2111
Supporting Reference Compounds
823
E-value
1643.16
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)
Prediction Confidence Score
0.258
Applicability Domain
0.273 Low confidence
Statistical Significance
0.2352
Supporting Reference Compounds
955
E-value
1831.09
D(3) dopamine receptor structureClick to view 3D structureD(3) dopamine receptorP35462HumansPredicted (SEA)
Prediction Confidence Score
0.257
Applicability Domain
0.34
Statistical Significance
0.2083
Supporting Reference Compounds
861
E-value
1621.44
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP14842Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.257
Applicability Domain
0.316
Statistical Significance
0.1131
Supporting Reference Compounds
380
E-value
880.475
Amine oxidase [flavin-containing] A structureClick to view 3D structureAmine oxidase [flavin-containing] AP21397HumansPredicted (SEA)
Prediction Confidence Score
0.256
Applicability Domain
0.311
Statistical Significance
0.0734
Supporting Reference Compounds
241
E-value
571.725
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)
Prediction Confidence Score
0.255
Applicability Domain
0.273 Low confidence
Statistical Significance
0.2019
Supporting Reference Compounds
686
E-value
1571.78
Muscarinic acetylcholine receptor M2 structureClick to view 3D structureMuscarinic acetylcholine receptor M2P08172HumansPredicted (SEA)
Prediction Confidence Score
0.254
Applicability Domain
0.273 Low confidence
Statistical Significance
0.1197
Supporting Reference Compounds
373
E-value
931.544
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available