<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-06 01:46:25 UTC</creation_date>
  <update_date>2026-05-21 01:20:23 UTC</update_date>
  <accession/>
  <common_name>3,4,5,6-Tetradehydrospartein-2-one</common_name>
  <class>SmallMolecule</class>
  <description>3,4,5,6-Tetradehydrospartein-2-one is an organic compound with the chemical formula C15H20N2O and an average molecular weight of 244.34 g/mol. 3,4,5,6-Tetradehydrospartein-2-one belongs to the anagyrine-type alkaloids, a subclass of lupin alkaloids within the organic compounds.

The compound is found in or released from 13 recorded sources across several diverse sectors. Within the Electrical &amp; Electronic Equipment sector, it is associated with cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. It is also found in Textiles, leather &amp; furnishings, specifically in synthetic textiles as well as carpets and rugs. Other recorded sources include food packaging from the Food, food processing &amp; cookware sector, medical devices from the Healthcare, pharmaceuticals &amp; veterinary products sector, and lubricants from both the Energy, oil &amp; gas and Industrial manufacturing &amp; chemical processing sectors, along with one additional sector. Recorded exposure routes for 3,4,5,6-Tetradehydrospartein-2-one include inhalation, oral, and touch.</description>
  <categories/>
  <types>
    <type>PFAS</type>
    <type>Phytotoxin</type>
  </types>
  <synonyms/>
  <chemical_formula>C15H20N2O</chemical_formula>
  <average_molecular_weight>244.338</average_molecular_weight>
  <monisotopic_moleculate_weight>244.1575633</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>486-89-5</cas_registry_number>
  <smiles>[H][C@]12CN3CCCC[C@]3([H])[C@@]([H])(CN3C(=O)C=CC=C13)C2</smiles>
  <inchi>InChI=1S/C15H20N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h3,5-6,11-13H,1-2,4,7-10H2/t11-,12+,13+/m0/s1</inchi>
  <inchikey>FQEQMASDZFXSJI-YNEHKIRRSA-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>244.338</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>244.1575633</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>[H][C@]12CN3CCCC[C@]3([H])[C@@]([H])(CN3C(=O)C=CC=C13)C2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C15H20N2O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C15H20N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h3,5-6,11-13H,1-2,4,7-10H2/t11-,12+,13+/m0/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>FQEQMASDZFXSJI-YNEHKIRRSA-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:0x00007f7222738e80&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>91746595</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>391241</chemspider_id>
  <kegg_id/>
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  <chebi_id/>
  <biocyc_id/>
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</compound>
