5,6-Didehydrospartein-2-one (CED0189464)

Record Information
Version1.0
Creation Date2026-04-06 01:46:03 UTC
Update Date2026-05-21 01:19:56 UTC
Accession NumberCHEM114414
Identification
Common Name5,6-Didehydrospartein-2-one
ClassSmall Molecule
Description
5,6-Didehydrospartein-2-one is an organic compound with the formula C15H22N2O and an average molecular weight of 246.35 g/mol. 5,6-Didehydrospartein-2-one belongs to the sparteine, lupanine, and related alkaloids, a subclass of lupin alkaloids within the organic compounds. This compound has been identified in or released from 13 recorded sources across several diverse sectors. Within the electrical and electronic equipment sector, it is associated with cell phones, capacitors, batteries, printed circuit boards, wires and cables, and one additional source. In the textiles, leather and furnishings sector, it is found in synthetic textiles as well as carpets and rugs. Other recorded sources include food packaging from the food, food processing and cookware sector, medical devices from the healthcare, pharmaceuticals and veterinary products sector, and lubricants from both the energy, oil and gas sector and the industrial manufacturing and chemical processing sector, along with one other sector. Recorded exposure routes for 5,6-Didehydrospartein-2-one include inhalation, oral exposure, and touch.
Contaminant Type
  • PFAS
  • Phytotoxin
Chemical Structure
SynonymsNot Available
Chemical FormulaC15H22N2O
Average Molecular Mass246.354 g/mol
Monoisotopic Mass246.173 g/mol
CAS Registry Number32101-29-4
IUPAC NameNot Available
Traditional NameNot Available
SMILES[H][C@@]12CN3CCCC[C@@]3([H])[C@]([H])(CN3C(=O)CCC=C13)C2
InChI IdentifierInChI=1S/C15H22N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h5,11-13H,1-4,6-10H2/t11-,12+,13+/m1/s1
InChI KeyGSQQGCZVTAUICD-AGIUHOORSA-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
212.0Log mg/kg[120:380]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
7PesticidesAgriculture & land managementNot Available
120Wires and cablesElectrical & Electronic EquipmentNot Available
121Printed circuit boardsElectrical & Electronic EquipmentNot Available
125BatteriesElectrical & Electronic EquipmentNot Available
130SemiconductorsElectrical & Electronic EquipmentNot Available
138LubricantsEnergy, oil & gasNot Available
147Food packagingFood, food processing & cookwareNot Available
174LubricantsIndustrial manufacturing & chemical processingNot Available
234Medical devicesHealthcare, pharmaceuticals & veterinary productsNot Available
451Carpets and RugsTextiles, leather & furnishingsNot Available
454Synthetic textilesTextiles, leather & furnishingsNot Available
490Personal care & cosmeticsNot Available
492Cell phonesElectrical & Electronic EquipmentNot Available
493CapacitorsElectrical & Electronic EquipmentNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureScm-like with four MBT domains protein 1Q9UHJ3HumansPredicted (SEA)127.984
PHD finger protein 23 structureClick to view 3D structurePHD finger protein 23Q9BUL5HumansPredicted (SEA)127.984
Click to view 3D structureLethal(3)malignant brain tumor-like protein 4Q8NA19HumansPredicted (SEA)127.984
Lethal(3)malignant brain tumor-like protein 3 structureClick to view 3D structureLethal(3)malignant brain tumor-like protein 3Q96JM7HumansPredicted (SEA)149.782
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)4419.81
MBT domain-containing protein 1 structureClick to view 3D structureMBT domain-containing protein 1Q05BQ5HumansPredicted (SEA)89.838
Click to view 3D structureKappa-type opioid receptorP41144Cavia porcellusPredicted (SEA)1708.71
Chromobox protein homolog 7 structureClick to view 3D structureChromobox protein homolog 7O95931HumansPredicted (SEA)505.942
Click to view 3D structurePotassium voltage-gated channel subfamily B member 1P15387Rattus norvegicusPredicted (SEA)16.9711
Click to view 3D structure5-hydroxytryptamine receptor 3BO95264HumansPredicted (SEA)39.7031
Vesicular acetylcholine transporter structureClick to view 3D structureVesicular acetylcholine transporterQ16572HumansPredicted (SEA)381.695
5-hydroxytryptamine receptor 3A structureClick to view 3D structure5-hydroxytryptamine receptor 3AP46098HumansPredicted (SEA)3392.2
Click to view 3D structureSigma non-opioid intracellular receptor 1Q60492Cavia porcellusPredicted (SEA)3256.82
Lysine-specific demethylase 5A structureClick to view 3D structureLysine-specific demethylase 5AP29375HumansPredicted (SEA)937.538
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)7297.2
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)5611.29
Click to view 3D structureAlpha-1,2-mannosidase (BT_3990)Q8A0N1Bacteroides thetaiotaomicronPredicted (SEA)4.12601
Click to view 3D structureD(2) dopamine receptorP61169RatPredicted (SEA)4846.74
Click to view 3D structureCytochrome P450 2D26P10634Rattus norvegicusPredicted (SEA)18.9174
Click to view 3D structureDelta-type opioid receptorP33533Rattus norvegicusPredicted (SEA)2305.04
Mu-type opioid receptor structureClick to view 3D structureMu-type opioid receptorP35372HumansPredicted (SEA)5810.9
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)6689.74
Click to view 3D structureA-type voltage-gated potassium channel KCND2Q63881Rattus norvegicusPredicted (SEA)24.9896
Click to view 3D structureMu-type opioid receptorP33535Rattus norvegicusPredicted (SEA)2853.49
Click to view 3D structureKappa-type opioid receptorP34975Rattus norvegicusPredicted (SEA)1622.38
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available