<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-03 23:38:55 UTC</creation_date>
  <update_date>2026-04-03 23:38:55 UTC</update_date>
  <accession/>
  <common_name>Prednienic acid</common_name>
  <class>SmallMolecule</class>
  <description>Prednienic acid is an organic compound with the formula C20H26O5 and an average molecular weight of 346.42 g/mol. Prednienic acid belongs to the androstane steroids, a subclass of steroids and steroid derivatives within the organic compounds. This substance is categorized under the superclass of lipids and lipid-like molecules. It has been identified in or released from one recorded source, specifically household cleaning and consumer products related to other smoking requisites.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>(11beta,17alpha)-11,17-Dihydroxy-3-oxoandrosta-1,4-diene-17-carboxylic acid</synonym>
    <synonym>(17alpha)-11,17-Dihydroxy-3-oxoandrosta-1,4-diene-17-carboxylic acid</synonym>
    <synonym>(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylic acid</synonym>
    <synonym>(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-3-keto-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylic acid</synonym>
    <synonym>11,17-Dihydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-17-carboxylic acid</synonym>
    <synonym>253-719-9</synonym>
    <synonym>ALREX</synonym>
    <synonym>Androsta-1,4-diene-17-carboxylic acid, 11,17-dihydroxy-3-oxo-, (11beta,17alpha)-</synonym>
    <synonym>Androsta-1,4-diene-17-carboxylic acid, 11,17-dihydroxy-3-oxo-, (17alpha)-</synonym>
    <synonym>n / a</synonym>
    <synonym>Prednienic Acid</synonym>
    <synonym>UNII-I3T12NR296</synonym>
    <synonym>UNII:I3T12NR296</synonym>
  </synonyms>
  <chemical_formula>C20H26O5</chemical_formula>
  <average_molecular_weight>346.423</average_molecular_weight>
  <monisotopic_moleculate_weight>346.178024</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>37927-29-0</cas_registry_number>
  <smiles>C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(O)=O</smiles>
  <inchi>InChI=1S/C20H26O5/c1-18-7-5-12(21)9-11(18)3-4-13-14-6-8-20(25,17(23)24)19(14,2)10-15(22)16(13)18/h5,7,9,13-16,22,25H,3-4,6,8,10H2,1-2H3,(H,23,24)/t13-,14+,15+,16+,18-,19-,20-/m1/s1</inchi>
  <inchikey>MCKJPJYRCPANCC-XLXYOEISSA-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/>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>346.423</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>346.178024</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(O)=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C20H26O5</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C20H26O5/c1-18-7-5-12(21)9-11(18)3-4-13-14-6-8-20(25,17(23)24)19(14,2)10-15(22)16(13)18/h5,7,9,13-16,22,25H,3-4,6,8,10H2,1-2H3,(H,23,24)/t13-,14+,15+,16+,18-,19-,20-/m1/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>MCKJPJYRCPANCC-XLXYOEISSA-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:0x00007f7222d937a8&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>7092779</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>5442258</chemspider_id>
  <kegg_id/>
  <uniprot_id/>
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  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id/>
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  <pdb_id/>
  <wikipidia/>
  <general_references/>
  <targets>
    <target>
      <target_id/>
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  </targets>
</compound>
