<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4299</id>
  <title>T3D4245</title>
  <common-name>Deoxycorticosterone</common-name>
  <description>Deoxycorticosterone is a steroid or mineralocorticoid secreted by the zona fasiculata of the adrenal cortex. Deoxycorticsterone acts as a precursor to aldosterone. Deoxycorticosterone is not a major secretory hormone. It is produced from progesterone by 21beta-hydroxylase and is converted to corticosterone by 11beta-hydroxylase. Corticosterone is then converted to aldosterone by aldosterone synthase. Deoxycorticosterone stimulates the collecting tubules in the kidney to continue to excrete potassium in much the same way that aldosterone does. Deoxycorticosterone has about 1/20 of the sodium retaining power of aldosterone and about 1/5 the potassium excreting power of aldosterone . Deoxycorticosterone can be used to treat adrenal insufficiency. In particular, desoxycorticosterone acetate (DOCA) is used as replacement therapy in Addison's disease.</description>
  <cas>64-85-7</cas>
  <pubchem-id>6166</pubchem-id>
  <chemical-formula>C21H30O3</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <melting-point>141 - 142°C</melting-point>
  <boiling-point></boiling-point>
  <density nil="true"/>
  <solubility>0.0595 mg/mL at 37°C</solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>This is an endogenously produced metabolite found in the human body. It is used in metabolic reactions, catabolic reactions or waste generation.</use-source>
  <min-risk-level nil="true"/>
  <health-effects>Chronically high levels of deoxycorticosterone are associated with the inborn errors of metabolism known as Congenital adrenal hyperplasia.</health-effects>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-08-29T06:02:24Z</created-at>
  <updated-at type="dateTime">2026-04-14T20:31:53Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>Deoxycorticosterone</wikipedia>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C03205</kegg-compound-id>
  <omim-id nil="true"/>
  <chebi-id>16973</chebi-id>
  <biocyc-id>11-DEOXYCORTICOSTERONE</biocyc-id>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id>DB15972</drugbank-id>
  <pdb-id>1CA</pdb-id>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>[H][C@@]12CC[C@H](C(=O)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C</moldb-smiles>
  <moldb-formula>C21H30O3</moldb-formula>
  <moldb-inchi>InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1</moldb-inchi>
  <moldb-inchikey>ZESRJSPZRDMNHY-YFWFAHHUSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">330.4611</moldb-average-mass>
  <moldb-mono-mass type="decimal">330.219494826</moldb-mono-mass>
  <origin>Endogenous</origin>
  <state>Solid</state>
  <logp>2.88</logp>
  <hmdb-id>HMDB00016</hmdb-id>
  <chembl-id>CHEMBL1498</chembl-id>
  <chemspider-id>5932</chemspider-id>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference>Mattox V R; Goodrich J E; Vrieze W D  Synthesis of C-21 glucosiduronates of cortisone and related corticosteroids.    Biochemistry  (1969),  8(3),  1188-99. </synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM003205</chemdb-id>
  <dsstox-id>DTXSID0045254</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac nil="true"/>
  <moldb-polar-surface-area>54.37</moldb-polar-surface-area>
  <moldb-refractivity>94.40749999999997</moldb-refractivity>
  <moldb-polarizability>38.18996451471434</moldb-polarizability>
  <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count>
  <moldb-acceptor-count>3</moldb-acceptor-count>
  <moldb-donor-count>1</moldb-donor-count>
  <moldb-pka-strongest-acidic>13.864723909946662</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-3.295317874239208</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>4</moldb-number-of-rings>
  <moldb-alogps-logp>3.10</moldb-alogps-logp>
  <moldb-alogps-logs>-4.30</moldb-alogps-logs>
  <moldb-alogps-solubility>1.67e-02 g/l</moldb-alogps-solubility>
</compound>
