<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-08-31 09:39:03 UTC</creation_date>
  <update_date>2026-08-31 09:39:03 UTC</update_date>
  <accession/>
  <common_name>[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(piperidin-1-ylmethoxy)phenyl]methanone</common_name>
  <class>SmallMolecule</class>
  <description>[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(piperidin-1-ylmethoxy)phenyl]methanone is a chemical compound with the formula C27H25NO4S. It has an average molecular weight of 459.60 g/mol.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C27H25NO4S</chemical_formula>
  <average_molecular_weight/>
  <monisotopic_moleculate_weight>459.1504295</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number/>
  <smiles>C1CCN(CC1)COC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O</smiles>
  <inchi>InChI=1S/C27H25NO4S/c29-20-8-4-19(5-9-20)27-25(23-13-10-21(30)16-24(23)33-27)26(31)18-6-11-22(12-7-18)32-17-28-14-2-1-3-15-28/h4-13,16,29-30H,1-3,14-15,17H2</inchi>
  <inchikey>AUYLVPGDOVEOML-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom/>
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    <sub_class/>
    <direct_parent/>
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  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
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  <tissue_locations/>
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  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>6.2</value>
    </property>
  </experimental_properties>
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    <property>
      <kind>mono_mass</kind>
      <value>459.1504295</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>C1CCN(CC1)COC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C27H25NO4S</value>
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    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C27H25NO4S/c29-20-8-4-19(5-9-20)27-25(23-13-10-21(30)16-24(23)33-27)26(31)18-6-11-22(12-7-18)32-17-28-14-2-1-3-15-28/h4-13,16,29-30H,1-3,14-15,17H2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>AUYLVPGDOVEOML-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
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  <use_source/>
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  <symptoms/>
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  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>46882308</pubchem_compound_id>
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