(e)-6-ethylsulfanylhept-3-en-2-one (CED0315477)

Record Information
Version1.0
Creation Date2026-09-01 16:10:21 UTC
Update Date2026-09-01 16:10:21 UTC
Accession NumberCHEM361418
Identification
Common Name(e)-6-ethylsulfanylhept-3-en-2-one
ClassSmall Molecule
Description
(e)-6-ethylsulfanylhept-3-en-2-one is a chemical compound with the formula C9H16OS. It has an average molecular weight of 172.29 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC9H16OS
Average Molecular MassNot Available
Monoisotopic Mass172.092 g/mol
CAS Registry Number81008-52-8
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCSC(C)CC=CC(=O)C
InChI IdentifierInChI=1S/C9H16OS/c1-4-11-9(3)7-5-6-8(2)10/h5-6,9H,4,7H2,1-3H3/b6-5+
InChI KeyWZHZGZNRMBGZCR-AATRIKPKSA-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
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
2388.0Log mg/kg[1300:4200]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureCannabinoid receptor 2P47936Mus musculusPredicted (SEA)250.674
Click to view 3D structureCannabinoid receptor 1P47746Mus musculusPredicted (SEA)229.266
Cannabinoid receptor 2 structureClick to view 3D structureCannabinoid receptor 2P34972HumansPredicted (SEA)3592.74
Click to view 3D structureMu-type opioid receptorP42866Mus musculusPredicted (SEA)1112.08
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansPredicted (SEA)3609.32
Click to view 3D structureCannabinoid receptor 1P20272Rattus norvegicusPredicted (SEA)1306.08
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)3173.91
Peroxisome proliferator-activated receptor delta structureClick to view 3D structurePeroxisome proliferator-activated receptor deltaQ03181HumansPredicted (SEA)2657.93
Cannabinoid receptor 1 structureClick to view 3D structureCannabinoid receptor 1P21554HumansPredicted (SEA)4588.67
Click to view 3D structureS-methylmethionine--homocysteine S-methyltransferase BHMT2Q9H2M3HumansPredicted (SEA)14.8692
Click to view 3D structureTransient receptor potential cation channel subfamily V member 2Q9WUD2Rattus norvegicusPredicted (SEA)168.154
Retinoic acid receptor RXR-alpha structureClick to view 3D structureRetinoic acid receptor RXR-alphaP19793HumansPredicted (SEA)2319.28
Click to view 3D structureEsteraseA3QR02Chilo suppressalisPredicted (SEA)15.5698
Click to view 3D structureOxoeicosanoid receptor 1Q8TDS5HumansPredicted (SEA)34.4094
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)3631.35
Click to view 3D structure1-deoxy-D-xylulose-5-phosphate synthaseB7UJP3Escherichia coli O127:H6 (strain E2348/69 / EPEC)Predicted (SEA)14.8692
Click to view 3D structurePalmitoyltransferase ZDHHC7Q9NXF8HumansPredicted (SEA)50.5241
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)4890.02
Muscarinic acetylcholine receptor M2 structureClick to view 3D structureMuscarinic acetylcholine receptor M2P08172HumansPredicted (SEA)6705.08
Click to view 3D structureLanosterol synthaseQ04782YeastPredicted (SEA)4.12601
Click to view 3D structureCAI-1 autoinducer sensor kinase/phosphatase CqsSQ9KM66Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)Predicted (SEA)58.9319
Glutamate receptor ionotropic, kainate 1 structureClick to view 3D structureGlutamate receptor ionotropic, kainate 1P39086HumansPredicted (SEA)347.052
Click to view 3D structureDelta-type opioid receptorP32300Mus musculusPredicted (SEA)3056.59
Click to view 3D structureProtein-S-isoprenylcysteine O-methyltransferaseP32584Saccharomyces cerevisiae S288cPredicted (SEA)8.17417
Calpain-1 catalytic subunit structureClick to view 3D structureCalpain-1 catalytic subunitP07384HumansPredicted (SEA)2317.18
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available