<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-05 00:34:17 UTC</creation_date>
  <update_date>2026-05-14 19:48:19 UTC</update_date>
  <accession/>
  <common_name>17,21-Dihydroxy-16a-methylpregna-1,4,9(11)-triene-3,20-dione</common_name>
  <class>SmallMolecule</class>
  <description>17,21-Dihydroxy-16a-methylpregna-1,4,9(11)-triene-3,20-dione belongs to the hydroxysteroids, a subclass of steroids and steroid derivatives within the organic compounds. This compound has the chemical formula C22H28O4 and an average molecular weight of 356.46 g/mol. It is identified as a lipid-like molecule.

The compound is found in or released from healthcare, pharmaceuticals, and veterinary products specifically categorized as corticosteroids, with oral exposure recorded. In terms of biological activity, it acts as an agonist/antagonist of two protein targets: the glucocorticoid receptor (NR3C1) and the mineralocorticoid receptor (NR3C2).</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C22H28O4</chemical_formula>
  <average_molecular_weight>356.462</average_molecular_weight>
  <monisotopic_moleculate_weight>356.1987594</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>13209-41-1</cas_registry_number>
  <smiles>[H][C@@]1(C)C[C@@]2([H])[C@]3([H])CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)CO</smiles>
  <inchi>InChI=1/C22H28O4/c1-13-10-18-16-5-4-14-11-15(24)6-8-20(14,2)17(16)7-9-21(18,3)22(13,26)19(25)12-23/h6-8,11,13,16,18,23,26H,4-5,9-10,12H2,1-3H3</inchi>
  <inchikey>ZYTXTXAMMDTYDQ-DGEXFFLYSA-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>2.54</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>356.462</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>356.1987594</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>[H][C@@]1(C)C[C@@]2([H])[C@]3([H])CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)CO</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C22H28O4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1/C22H28O4/c1-13-10-18-16-5-4-14-11-15(24)6-8-20(14,2)17(16)7-9-21(18,3)22(13,26)19(25)12-23/h6-8,11,13,16,18,23,26H,4-5,9-10,12H2,1-3H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>ZYTXTXAMMDTYDQ-DGEXFFLYSA-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:0x00007f7226223680&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB15114</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>3035000</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id/>
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  <chebi_id/>
  <biocyc_id/>
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  <pdb_id/>
  <wikipidia/>
  <general_references/>
  <targets>
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</compound>
