<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-05 11:13:04 UTC</creation_date>
  <update_date>2026-08-20 06:20:42 UTC</update_date>
  <accession/>
  <common_name>Compound iv</common_name>
  <class>SmallMolecule</class>
  <description>Compound iv belongs to the phenol ethers, a class of benzenoids within the organic compounds. It has the chemical formula C20H26N2O3 and an average molecular weight of 342.44 g/mol. 

This compound is found in or released from seven recorded sources. Within the category of electrical and electronic equipment, it is associated with radio transmission systems, X ray tubes, and electric switches. In the context of food, food processing, and cookware, it is linked to the preparation of malt, fermentation processes for beer, and the treatment of hops. Additionally, it is found among household cleaning and consumer products, specifically in bleaching agents. Regarding its biological activity, compound iv has one recorded protein target, which is the genome polyprotein.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C20H26N2O3</chemical_formula>
  <average_molecular_weight>342.439</average_molecular_weight>
  <monisotopic_moleculate_weight>342.1943427</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>87495-31-6</cas_registry_number>
  <smiles>CC1=NOC(CCCCCCCOC2=CC=C(C=C2)C2=NCCO2)=C1</smiles>
  <inchi>InChI=1S/C20H26N2O3/c1-16-15-19(25-22-16)7-5-3-2-4-6-13-23-18-10-8-17(9-11-18)20-21-12-14-24-20/h8-11,15H,2-7,12-14H2,1H3</inchi>
  <inchikey>FKLJPTJMIBLJAV-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>
    <property>
      <kind>logp</kind>
      <value>4.15</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>342.439</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>342.1943427</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC1=NOC(CCCCCCCOC2=CC=C(C=C2)C2=NCCO2)=C1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C20H26N2O3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C20H26N2O3/c1-16-15-19(25-22-16)7-5-3-2-4-6-13-23-18-10-8-17(9-11-18)20-21-12-14-24-20/h8-11,15H,2-7,12-14H2,1H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>FKLJPTJMIBLJAV-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72261994d0&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB08726</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>55717</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id/>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
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  <wikipidia/>
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</compound>
