(+)-Lupanine (CED0013306)

Record Information
Version1.0
Creation Date2026-04-06 01:46:00 UTC
Update Date2026-08-19 12:36:00 UTC
Accession NumberCHEM114413
Identification
Common Name(+)-Lupanine
ClassSmall Molecule
Description
(+)-Lupanine is an organic compound with the formula C15H24N2O and an average molecular weight of 248.37 g/mol. (+)-Lupanine belongs to the sparteine, lupanine, and related alkaloids, a subclass of lupin alkaloids within the organic compounds. This compound has been found in or released from 13 recorded sources across several diverse sectors. In the healthcare, pharmaceuticals & veterinary products sector, it is associated with medical devices. Within the energy, oil & gas and industrial manufacturing & chemical processing sectors, it is found in lubricants. Its presence is also recorded in food packaging under the food, food processing & cookware category. Additionally, it is found in textiles, leather & furnishings, specifically in synthetic textiles as well as carpets and rugs. The compound is also identified in electrical & electronic equipment, including batteries, capacitors, printed circuit boards, wires and cables, cell phones, and one additional source. One further sector has also been recorded. Recorded routes of exposure for (+)-Lupanine include inhalation, oral, and touch.
Contaminant Type
  • PFAS
  • Phytotoxin
Chemical Structure
SynonymsNot Available
Chemical FormulaC15H24N2O
Average Molecular Mass248.370 g/mol
Monoisotopic Mass248.189 g/mol
CAS Registry Number550-90-3
IUPAC NameNot Available
Traditional NameNot Available
SMILES[H][C@]12CN3C(=O)CCC[C@]3([H])[C@]([H])(CN3CCCC[C@@]13[H])C2
InChI IdentifierInChI=1S/C15H24N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h11-14H,1-10H2/t11-,12-,13-,14+/m0/s1
InChI KeyJYIJIIVLEOETIQ-XDQVBPFNSA-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
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-0l6r-1970000000-5de67a6c212c845443f5Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-0090000000-fe13451db11c76943410Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-0190000000-fbadd8f52d75262ef4e5Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-9840000000-1b66617b54d497856ffaNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-0090000000-a9eead51b54a2d46cef1Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-1190000000-7294c8e93f3a81a70c27Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-057l-7950000000-1a459fcc4a3863e2a0cfNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-0090000000-41e08c9382511812e9f6Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-0090000000-41e08c9382511812e9f6Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00mk-1690000000-08ceacb12268afa509c7Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-0090000000-f4af8f2053e468cbf165Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-0090000000-f4af8f2053e468cbf165Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0f6t-4930000000-d6d87ad724f819efe15cNot AvailableView Spectrum
1D NMR13C NMR Spectrum (1D, H2O, predicted)Not AvailableNot AvailableView Spectrum
1D NMR1H NMR Spectrum (1D, H2O, predicted)Not AvailableNot AvailableView Spectrum
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
235.0Log mg/kg[130:420]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)84.5443
PHD finger protein 23 structureClick to view 3D structurePHD finger protein 23Q9BUL5HumansPredicted (SEA)84.5443
Click to view 3D structureLethal(3)malignant brain tumor-like protein 4Q8NA19HumansPredicted (SEA)84.5443
5-hydroxytryptamine receptor 3A structureClick to view 3D structure5-hydroxytryptamine receptor 3AP46098HumansPredicted (SEA)1612.18
Lethal(3)malignant brain tumor-like protein 3 structureClick to view 3D structureLethal(3)malignant brain tumor-like protein 3Q96JM7HumansPredicted (SEA)103.072
Muscarinic acetylcholine receptor M1 structureClick to view 3D structureMuscarinic acetylcholine receptor M1P11229HumansPredicted (SEA)2977.81
Muscarinic acetylcholine receptor M2 structureClick to view 3D structureMuscarinic acetylcholine receptor M2P08172HumansPredicted (SEA)2902.37
MBT domain-containing protein 1 structureClick to view 3D structureMBT domain-containing protein 1Q05BQ5HumansPredicted (SEA)60.0218
Click to view 3D structureCytochrome P450 2D26P10634Rattus norvegicusPredicted (SEA)4.5931
Chromobox protein homolog 7 structureClick to view 3D structureChromobox protein homolog 7O95931HumansPredicted (SEA)421.086
Click to view 3D structureMuscarinic acetylcholine receptor M1P08482Rattus norvegicusPredicted (SEA)1161.2
Click to view 3D structureMuscarinic acetylcholine receptor M2P10980Rattus norvegicusPredicted (SEA)739.256
Muscarinic acetylcholine receptor M5 structureClick to view 3D structureMuscarinic acetylcholine receptor M5P08912HumansPredicted (SEA)2719.66
Click to view 3D structure5-hydroxytryptamine receptor 3BO95264HumansPredicted (SEA)26.2352
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)4572.08
Click to view 3D structureKappa-type opioid receptorP41144Cavia porcellusPredicted (SEA)1689.48
Muscarinic acetylcholine receptor M3 structureClick to view 3D structureMuscarinic acetylcholine receptor M3P20309HumansPredicted (SEA)3498.86
Muscarinic acetylcholine receptor M4 structureClick to view 3D structureMuscarinic acetylcholine receptor M4P08173HumansPredicted (SEA)3348.53
Click to view 3D structureD(2) dopamine receptorP61169RatPredicted (SEA)3896.82
Click to view 3D structurePotassium voltage-gated channel subfamily B member 1P15387Rattus norvegicusPredicted (SEA)19.3066
Lysine-specific demethylase 5A structureClick to view 3D structureLysine-specific demethylase 5AP29375HumansPredicted (SEA)761.599
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)6018.29
Click to view 3D structureAlpha-1,2-mannosidase (BT_3990)Q8A0N1Bacteroides thetaiotaomicronPredicted (SEA)3.26967
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)6128.13
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)7276.8
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available