<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-03-31 21:07:52 UTC</creation_date>
  <update_date>2026-05-14 20:04:43 UTC</update_date>
  <accession/>
  <common_name>Aphidicolin</common_name>
  <class>SmallMolecule</class>
  <description>Aphidicolin is an organic compound with the formula C20H34O4 and an average molecular weight of 338.49 g/mol. Aphidicolin belongs to the diterpenoids, a subclass of prenol lipids within the organic compounds. It acts as an inhibitor of the DNA polymerase catalytic subunit. This compound is found in or released from antibiotics used in healthcare, pharmaceuticals, and veterinary products. Recorded exposure routes for this substance include inhalation and oral administration.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>(+)-Aphidicolin</synonym>
    <synonym>(+)-Aphidicolin, Nigrospora oryzae</synonym>
    <synonym>(1S,2S,5R,6R,7R,10S,12R,13R)-6,13-bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.01,10.02,7]hexadecane-5,13-diol</synonym>
    <synonym>(1S,2S,5R,6R,7R,10S,12R,13R)-6,13-Bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.0[1,10].0[2,7]]hexadecane-5,13-diol</synonym>
    <synonym>(1S,2S,5R,6R,7R,10S,12R,13R)-6,13-Bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.0~1,10~.0~2,7~]hexadecane-5,13-diol</synonym>
    <synonym>(3a,4a,5a,17a)-3,17-Dihydroxy-4-methyl-9,15-cyclo- C,18-dinor-14,15-secoandrostane-4,17-dimethanol</synonym>
    <synonym>(3alpha,4alpha,5alpha,17alpha)-3,17-dihydroxy-4-methyl-9,15-cyclo-C,18-dinor-14,15-secoandrostane-4,17-dimethanol</synonym>
    <synonym>(3R,4R,4aR,6aS,8R,9R,11aS,11bS)-4,9-bis(hydroxymethyl)-4,11b-dimethyltetradecahydro-8,11a-methanocyclohepta[a]naphthalene-3,9-diol</synonym>
    <synonym>(3R,4R,4aR,6aS,8R,9R,11aS,11bS)-tetradecahydro-3,9-dihydroxy-4,11b-dimethyl-8,11a-methano-11aH-cyclohepta[a]naphthalene-4,9-dimethanol</synonym>
    <synonym>2ZE</synonym>
    <synonym>4-(4-Fluoro-phenyl)-2-methylsulfanyl-thiophene-3-carbonitrile</synonym>
    <synonym>4689958</synonym>
    <synonym>6,13-di(hydroxymethyl)-2,6-dimethyl-(1S,2S,5R,6R,7R,10S,12R,13R)-tetracyclo[10.3.1.01,10.02,7]hexadecane-5,13-diol (Aphidicolin)</synonym>
    <synonym>6,13-di(hydroxymethyl)-2,6-dimethyl-(1S,2S,5R,6R,7R,10S,12R,13R)-tetracyclo[10.3.1.01,10.02,7]hexadecane-5,13-diol(Aphidicolin)</synonym>
    <synonym>8,11a-Methano-11aH-cyclohepta[a]naphthalene-4,9-dimethanol, tetradecahydro-3,9-dihydroxy-4,11b-dimethyl-, (3R,4R,4aR,6aS,8R,9R,11aS,11bS)-</synonym>
    <synonym>9,15-Cyclo-C,18-dinor-14,15-secoandrostane-4,17-dimethanol, 3,17-dihydroxy-4-methyl-, (3alpha,4alpha,5alpha,17alpha)-</synonym>
    <synonym>ACon0_000080</synonym>
    <synonym>ACon1_000511</synonym>
    <synonym>APC</synonym>
    <synonym>Apchidicolin</synonym>
    <synonym>aphidicholin</synonym>
    <synonym>APHIDICOLIN</synonym>
    <synonym>Aphidicolin from Nigrospora sphaerica</synonym>
    <synonym>Aphidicolin Nigrospora sphaerica</synonym>
    <synonym>APHIDICOLIN, (+/-)-</synonym>
    <synonym>aphidocolin</synonym>
    <synonym>BCBcMAP01_000163</synonym>
    <synonym>BSPBio_001438</synonym>
    <synonym>CHEMBL29711</synonym>
    <synonym>IDI1_033908</synonym>
    <synonym>MEGxm0_000277</synonym>
    <synonym>MFCD00083214</synonym>
    <synonym>NCGC00023142-03</synonym>
    <synonym>PB9185000</synonym>
    <synonym>SMP1_000025</synonym>
    <synonym>UNII-192TJ6PP19</synonym>
    <synonym>UNII-6B3F8QW8TU</synonym>
    <synonym>UNII:192TJ6PP19</synonym>
    <synonym>UNII:6B3F8QW8TU</synonym>
    <synonym>[38966-21-1]</synonym>
  </synonyms>
  <chemical_formula>C20H34O4</chemical_formula>
  <average_molecular_weight>338.488</average_molecular_weight>
  <monisotopic_moleculate_weight>338.24571</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>38966-21-1;69926-98-3</cas_registry_number>
  <smiles>C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1C[C@@H]3C[C@]21CC[C@]3(O)CO</smiles>
  <inchi>InChI=1S/C20H34O4/c1-17(11-21)15-4-3-13-9-14-10-19(13,7-8-20(14,24)12-22)18(15,2)6-5-16(17)23/h13-16,21-24H,3-12H2,1-2H3/t13-,14+,15-,16+,17-,18-,19-,20-/m0/s1</inchi>
  <inchikey>NOFOAYPPHIUXJR-APNQCZIXSA-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>1.09</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>338.488</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>338.24571</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1C[C@@H]3C[C@]21CC[C@]3(O)CO</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C20H34O4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C20H34O4/c1-17(11-21)15-4-3-13-9-14-10-19(13,7-8-20(14,24)12-22)18(15,2)6-5-16(17)23/h13-16,21-24H,3-12H2,1-2H3/t13-,14+,15-,16+,17-,18-,19-,20-/m0/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>NOFOAYPPHIUXJR-APNQCZIXSA-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:0x00007f724450ad30&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB17742</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>457964</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>10280269</chemspider_id>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id/>
  <actor_id/>
  <pdb_id/>
  <wikipidia/>
  <general_references/>
  <targets>
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      <target_id>BE0000308</target_id>
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  </targets>
</compound>
