<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-04 20:51:04 UTC</creation_date>
  <update_date>2026-08-21 22:38:01 UTC</update_date>
  <accession/>
  <common_name>Clocortolone</common_name>
  <class>SmallMolecule</class>
  <description>Clocortolone is an organic compound with the formula C22H28ClFO4 and an average molecular weight of 410.91 g/mol. Clocortolone belongs to the hydroxysteroids, a subclass of steroids and steroid derivatives within the organic compounds. This substance is identified as an agonist/inducer of the glucocorticoid receptor (NR3C1) and targets phospholipase A2 (PLA2G1B).

The compound is found in or released from three recorded sources, including corticosteroids within healthcare, pharmaceuticals, and veterinary products, as well as other smoking requisites and non-electric simulated smoking devices within household cleaning and consumer products. The recorded route of exposure for clocortolone is topical.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C22H28ClFO4</chemical_formula>
  <average_molecular_weight>410.907</average_molecular_weight>
  <monisotopic_moleculate_weight>410.1660153</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>4828-27-7</cas_registry_number>
  <smiles>[H][C@@]12C[C@@H](C)[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C</smiles>
  <inchi>InChI=1/C22H28ClFO4/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-21(15,3)22(14,23)18(28)9-20(13,2)19(11)17(27)10-25/h4-5,7,11,13-14,16,18-19,25,28H,6,8-10H2,1-3H3</inchi>
  <inchikey>YMTMADLUXIRMGX-RFPWEZLHSA-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>
    <pathway>
      <name>Clocortolone Action Pathway</name>
      <smpdb_id>SMP0126193</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Clocortolone Drug Metabolism Action Pathway</name>
      <smpdb_id>SMP0143275</smpdb_id>
      <kegg_map_id/>
    </pathway>
  </pathways>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>2.47</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>410.907</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>410.1660153</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>[H][C@@]12C[C@@H](C)[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C22H28ClFO4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1/C22H28ClFO4/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-21(15,3)22(14,23)18(28)9-20(13,2)19(11)17(27)10-25/h4-5,7,11,13-14,16,18-19,25,28H,6,8-10H2,1-3H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>YMTMADLUXIRMGX-RFPWEZLHSA-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:0x00007f7225dc25a0&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB00838</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>5311052</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id/>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
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  <stitch_id/>
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  <pdb_id/>
  <wikipidia/>
  <general_references/>
  <targets>
    <target>
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      <target_id>BE0003997</target_id>
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</compound>
