<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-06 02:13:56 UTC</creation_date>
  <update_date>2026-05-21 01:46:25 UTC</update_date>
  <accession/>
  <common_name>Methyllycaconitine</common_name>
  <class>SmallMolecule</class>
  <description>Methyllycaconitine is an organic compound with the chemical formula C37H50N2O10. Methyllycaconitine belongs to the diterpenoids, a subclass of prenol lipids within the organic compounds. With an average molecular weight of 682.81 g/mol, Methyllycaconitine is a heavy molecule.

This compound is found in or released from 14 recorded sources across various sectors. In the realm of electrical and electronic equipment, it is associated with cell phones, capacitors, batteries, printed circuit boards, wires and cables, and one additional source. It is also found in textiles, leather and furnishings, specifically within synthetic textiles as well as carpets and rugs. Within the food, food processing and cookware sector, it is linked to food packaging. Additionally, the compound is present in medical devices under the healthcare, pharmaceuticals and veterinary products category. In the energy, oil and gas sector, as well as in industrial manufacturing and chemical processing, it is found in lubricants. There are two more sectors where the compound is recorded. Recorded exposure routes for Methyllycaconitine include oral intake, inhalation, and touch.</description>
  <categories/>
  <types>
    <type>PFAS</type>
    <type>Phytotoxin</type>
  </types>
  <synonyms/>
  <chemical_formula>C37H50N2O10</chemical_formula>
  <average_molecular_weight>682.811</average_molecular_weight>
  <monisotopic_moleculate_weight>682.3465458</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number/>
  <smiles>[H]C12CC3C([H])(C1OC)C(O)(CC2OC)C1(O)C(OC)C2([H])C33C(CCC2(COC(=O)C2=CC=CC=C2N2C(=O)CC(C)C2=O)CN(CC)C13[H])OC</smiles>
  <inchi>InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3</inchi>
  <inchikey>XLTAWLDBYGFU-UHFFFAOYSA-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>682.811</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>682.3465458</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>[H]C12CC3C([H])(C1OC)C(O)(CC2OC)C1(O)C(OC)C2([H])C33C(CCC2(COC(=O)C2=CC=CC=C2N2C(=O)CC(C)C2=O)CN(CC)C13[H])OC</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C37H50N2O10</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>XLTAWLDBYGFU-UHFFFAOYSA-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:0x00007f3bf3207f98&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>5288811</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>4450894</chemspider_id>
  <kegg_id/>
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  <chebi_id/>
  <biocyc_id/>
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  <wikipidia/>
  <general_references/>
  <targets>
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</compound>
