<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-14 21:11:31 UTC</creation_date>
  <update_date>2026-08-22 11:58:08 UTC</update_date>
  <accession/>
  <common_name>Phorbol 12-myristate 13-acetate diester</common_name>
  <class>SmallMolecule</class>
  <description>Phorbol 12-myristate 13-acetate diester belongs to the diterpenoids, a subclass of prenol lipids within the organic compounds. With an average molecular weight of 616.84 g/mol, Phorbol 12-myristate 13-acetate diester is a heavy molecule. Its chemical formula is C36H56O8.

This compound is found in or released from ten recorded sources. These include food, food processing, and cookware, specifically the processing of fish and the preparation of wine or sparkling wine. Additionally, it is associated with electrical and electronic equipment, including magnets, antennas, amplifiers, colour television systems, and line transmission systems, among three other sources.

In biological systems, Phorbol 12-myristate 13-acetate diester interacts with four recorded protein targets. It acts as an activator or inhibitor of the transient receptor potential cation channel subfamily V member 4 (TRPV4). Furthermore, it targets several potassium channels, specifically the G protein-activated inward rectifier potassium channel 4 (KCNJ5), potassium channel subfamily T member 1 (KCNT1), and potassium channel subfamily T member 2 (KCNT2).</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C36H56O8</chemical_formula>
  <average_molecular_weight>616.836</average_molecular_weight>
  <monisotopic_moleculate_weight>616.397518763</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>16561-29-8</cas_registry_number>
  <smiles>[H][C@]12[C@]3([H])C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@@]4([H])[C@@]3(O)[C@H](C)[C@@H](OC(=O)CCCCCCCCCCCCC)[C@@]1(OC(C)=O)C2(C)C</smiles>
  <inchi>InChI=1S/C36H56O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-29(39)43-32-24(3)35(42)27(30-33(5,6)36(30,32)44-25(4)38)20-26(22-37)21-34(41)28(35)19-23(2)31(34)40/h19-20,24,27-28,30,32,37,41-42H,7-18,21-22H2,1-6H3/t24-,27+,28-,30-,32-,34-,35-,36-/m1/s1</inchi>
  <inchikey>PHEDXBVPIONUQT-RGYGYFBISA-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>5.69</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>616.836</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>616.397518763</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>[H][C@]12[C@]3([H])C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@@]4([H])[C@@]3(O)[C@H](C)[C@@H](OC(=O)CCCCCCCCCCCCC)[C@@]1(OC(C)=O)C2(C)C</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C36H56O8</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C36H56O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-29(39)43-32-24(3)35(42)27(30-33(5,6)36(30,32)44-25(4)38)20-26(22-37)21-34(41)28(35)19-23(2)31(34)40/h19-20,24,27-28,30,32,37,41-42H,7-18,21-22H2,1-6H3/t24-,27+,28-,30-,32-,34-,35-,36-/m1/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>PHEDXBVPIONUQT-RGYGYFBISA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
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  <symptoms/>
  <treatment/>
  <drugbank_id>DB17045</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>27924</pubchem_compound_id>
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