Endosulfan-alpha (CED0021738)

Record Information
Version1.0
Creation Date2026-04-06 10:09:53 UTC
Update Date2026-04-06 10:09:53 UTC
Accession NumberCHEM122432
Identification
Common NameEndosulfan-alpha
ClassSmall Molecule
Description
Endosulfan-alpha belongs to the organic sulfites, a subclass of organic oxoanionic compounds within the organic compounds. It is classified as an organic oxygen compound. This substance has been found in or released from one recorded source, which is food, food processing and cookware, specifically in the treatment of hops.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaNot Available
Average Molecular MassNot Available
Monoisotopic MassNot Available
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2/t3-,4-,7-,8+,19-/m0/s1
InChI KeyRDYMFSUJUZBWLH-KUGKFLLMSA-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
2.26Log mg/kg[1:4]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
553Treatment Of HopsFood, food processing & cookwareNot Available
583Anchoring EquipmentMarine, shipping & aquacultureNot Available
597ChemosterilantsAgriculture & land managementNot Available
598Fertiliser DistributorsAgriculture & land managementNot Available
607Rodenticides(1)Agriculture & land managementNot Available
608RodenticidesAgriculture & land managementNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureGABA receptor subunitQ75NA5Musca domesticaPredicted (SEA)0.0778492
Gamma-aminobutyric acid receptor subunit beta-3 structureClick to view 3D structureGamma-aminobutyric acid receptor subunit beta-3P28472HumansPredicted (SEA)0.0778492
Gamma-aminobutyric acid receptor subunit rho-1 structureClick to view 3D structureGamma-aminobutyric acid receptor subunit rho-1P24046HumansPredicted (SEA)0.311397
histidine kinase structureClick to view 3D structurehistidine kinaseO32393Arthrospira platensisPredicted (SEA)0.389246
Presenilin-2 structureClick to view 3D structurePresenilin-2P49810HumansPredicted (SEA)185.203
Click to view 3D structureType II NADH:quinone oxidoreductase NdhP95160Mycobacterium tuberculosisPredicted (SEA)1096.12
Click to view 3D structureType II NADH:quinone oxidoreductase NdhAP95200Mycobacterium tuberculosisPredicted (SEA)1096.12
Click to view 3D structureSerine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoformQ76MZ3Mus musculusPredicted (SEA)29.0378
WD repeat-containing protein 91 structureClick to view 3D structureWD repeat-containing protein 91A4D1P6HumansPredicted (SEA)1589.68
Bile salt-activated lipase structureClick to view 3D structureBile salt-activated lipaseP19835HumansPredicted (SEA)595.78
Click to view 3D structureSignal transduction protein TRAPQ7A2Q4Staphylococcus aureus (strain Mu50 / ATCC 700699)Predicted (SEA)2100.37
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)7747.48
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)7775.42
Click to view 3D structureCytochrome b-c1 complex subunit Rieske, mitochondrialG2YM83Botryotinia fuckeliana (strain T4) (Noble rot fungus) (Botrytiscinerea)Predicted (SEA)3224.9
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)7762.03
Click to view 3D structureLeukotriene B4 receptor 1O88855Mus musculusPredicted (SEA)2153.93
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)7745.69
Click to view 3D structureCviR transcriptional regulatorD3W065Chromobacterium violaceumPredicted (SEA)2730.48
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)7773.32
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)7773.71
Click to view 3D structureSigma intracellular receptor 2Q5BJF2HumansPredicted (SEA)7742.73
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)7760.4
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)7769.9
Asialoglycoprotein receptor 1 structureClick to view 3D structureAsialoglycoprotein receptor 1P07306HumansPredicted (SEA)447.399
D(4) dopamine receptor structureClick to view 3D structureD(4) dopamine receptorP21917HumansPredicted (SEA)7747.09
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available