<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-06 01:46:03 UTC</creation_date>
  <update_date>2026-05-21 01:19:56 UTC</update_date>
  <accession/>
  <common_name>5,6-Didehydrospartein-2-one</common_name>
  <class>SmallMolecule</class>
  <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.</description>
  <categories/>
  <types>
    <type>PFAS</type>
    <type>Phytotoxin</type>
  </types>
  <synonyms/>
  <chemical_formula>C15H22N2O</chemical_formula>
  <average_molecular_weight>246.354</average_molecular_weight>
  <monisotopic_moleculate_weight>246.1732133</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>32101-29-4</cas_registry_number>
  <smiles>[H][C@@]12CN3CCCC[C@@]3([H])[C@]([H])(CN3C(=O)CCC=C13)C2</smiles>
  <inchi>InChI=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>
  <inchikey>GSQQGCZVTAUICD-AGIUHOORSA-N</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties/>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>246.354</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>246.1732133</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>[H][C@@]12CN3CCCC[C@@]3([H])[C@]([H])(CN3C(=O)CCC=C13)C2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C15H22N2O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=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</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>GSQQGCZVTAUICD-AGIUHOORSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f722412afa0&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>442950</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>391253</chemspider_id>
  <kegg_id/>
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  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
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  <wikipidia/>
  <general_references/>
  <targets>
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</compound>
