<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4342</id>
  <title>T3D4288</title>
  <common-name>Tetrahydrocortisol</common-name>
  <description>Tetrahydrocortisol is the most powerful natural angiostatic steroid. It is involved in C21-Steroid hormone metabolism pathway (KEGG).</description>
  <cas>53-02-1</cas>
  <pubchem-id>44725717</pubchem-id>
  <chemical-formula>C21H34O5</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <melting-point></melting-point>
  <boiling-point></boiling-point>
  <density nil="true"/>
  <solubility></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 nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-08-29T06:15:48Z</created-at>
  <updated-at type="dateTime">2026-04-05T17:30:25Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C05472</kegg-compound-id>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>C[C@]12C[C@H](O)C3C(CCC4C[C@H](O)CC[C@]34C)C1CC[C@]2(O)C(=O)CO</moldb-smiles>
  <moldb-formula>C21H34O5</moldb-formula>
  <moldb-inchi>InChI=1S/C21H34O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-16,18,22-24,26H,3-11H2,1-2H3/t12?,13-,14?,15?,16+,18?,19+,20+,21+/m1/s1</moldb-inchi>
  <moldb-inchikey>AODPIQQILQLWGS-OBRSLYEHSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">366.4917</moldb-average-mass>
  <moldb-mono-mass type="decimal">366.240624198</moldb-mono-mass>
  <origin>Endogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id>HMDB00949</hmdb-id>
  <chembl-id nil="true"/>
  <chemspider-id>21506239</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>Gould, David H.; Oliveto, Eugene P.  17a-Hydroxycorticosterone and intermediates.    (1957),     US  2783254  19570226  CAN 51:62564  AN 1957:62564</synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM003248</chemdb-id>
  <dsstox-id>DTXSID601018917</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00079117</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>97.99</moldb-polar-surface-area>
  <moldb-refractivity>97.60139999999997</moldb-refractivity>
  <moldb-polarizability>40.89070801334035</moldb-polarizability>
  <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count>
  <moldb-acceptor-count>5</moldb-acceptor-count>
  <moldb-donor-count>4</moldb-donor-count>
  <moldb-pka-strongest-acidic>12.584777685879395</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-1.356956600538469</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>4</moldb-number-of-rings>
  <moldb-alogps-logp>1.38</moldb-alogps-logp>
  <moldb-alogps-logs>-2.90</moldb-alogps-logs>
  <moldb-alogps-solubility>4.66e-01 g/l</moldb-alogps-solubility>
</compound>
