<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-05 12:15:07 UTC</creation_date>
  <update_date>2026-08-22 04:04:08 UTC</update_date>
  <accession/>
  <common_name>17 Alpha-propionate</common_name>
  <class>SmallMolecule</class>
  <description>17 Alpha-propionate belongs to the hydroxysteroids, a subclass of steroids and steroid derivatives within the organic compounds. This compound has the formula C24H34O5 and an average molecular weight of 402.53 g/mol. It is found in anti-acne preparations used in healthcare, pharmaceuticals, and veterinary products, with recorded topical exposure routes. Regarding its biological activity, 17 Alpha-propionate acts as an antagonist of the Androgen receptor (AR).</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C24H34O5</chemical_formula>
  <average_molecular_weight>402.531</average_molecular_weight>
  <monisotopic_moleculate_weight>402.2406242</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>19608-29-8</cas_registry_number>
  <smiles>CCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)CO</smiles>
  <inchi>InChI=1S/C24H34O5/c1-4-21(28)29-24(20(27)14-25)12-9-19-17-6-5-15-13-16(26)7-10-22(15,2)18(17)8-11-23(19,24)3/h13,17-19,25H,4-12,14H2,1-3H3/t17-,18+,19+,22+,23+,24+/m1/s1</inchi>
  <inchikey>GPNHMOZDMYNCPO-PDUMRIMRSA-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>Clascoterone Drug Metabolism Action Pathway</name>
      <smpdb_id>SMP0144868</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Clascoterone Predicted Metabolism Pathway</name>
      <smpdb_id>SMP0174699</smpdb_id>
      <kegg_map_id/>
    </pathway>
  </pathways>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>3.73</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>402.531</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>402.2406242</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)CO</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C24H34O5</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C24H34O5/c1-4-21(28)29-24(20(27)14-25)12-9-19-17-6-5-15-13-16(26)7-10-22(15,2)18(17)8-11-23(19,24)3/h13,17-19,25H,4-12,14H2,1-3H3/t17-,18+,19+,22+,23+,24+/m1/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>GPNHMOZDMYNCPO-PDUMRIMRSA-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:0x00007f3bafb0c448&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB12499</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>11750009</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id/>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id/>
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  <pdb_id/>
  <wikipidia/>
  <general_references/>
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      <target_id>BE0000132</target_id>
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</compound>
