<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4158</id>
  <title>T3D4104</title>
  <common-name>Strophanthidin</common-name>
  <description>k-Strophanthidin is a cardenolide found in species of the genus Strophanthus. It is the aglycone of k-strophanthin, an analogue of ouabain. k-strophanthin is found in the ripe seeds of Strophanthus komb and in the lily Convallaria. </description>
  <cas>66-28-4</cas>
  <pubchem-id>6185</pubchem-id>
  <chemical-formula>C23H32O6</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>k-Strophanthidin is a cardenolide found in species of the genus Strophanthus. k-strophanthin is found in the ripe seeds of Strophanthus komb and in the lily Convallaria.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-08-29T05:09:35Z</created-at>
  <updated-at type="dateTime">2026-05-20T20:17:11Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C19988</kegg-compound-id>
  <omim-id nil="true"/>
  <chebi-id>CHEBI:38178</chebi-id>
  <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>[H][C@@]1(CC[C@]2(O)[C@]3([H])CC[C@]4(O)C[C@@]([H])(O)CC[C@]4(C=O)[C@@]3([H])CC[C@]12C)C1=CC(=O)OC1</moldb-smiles>
  <moldb-formula>C23H32O6</moldb-formula>
  <moldb-inchi>InChI=1S/C23H32O6/c1-20-6-3-17-18(4-8-22(27)11-15(25)2-7-21(17,22)13-24)23(20,28)9-5-16(20)14-10-19(26)29-12-14/h10,13,15-18,25,27-28H,2-9,11-12H2,1H3/t15-,16+,17-,18+,20+,21-,22-,23-/m0/s1</moldb-inchi>
  <moldb-inchikey>ODJLBQGVINUMMR-HZXDTFASSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">404.4966</moldb-average-mass>
  <moldb-mono-mass type="decimal">404.219888756</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id>CHEMBL111743</chembl-id>
  <chemspider-id>5950</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></synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM003064</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00010436</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>104.06</moldb-polar-surface-area>
  <moldb-refractivity>105.91689999999998</moldb-refractivity>
  <moldb-polarizability>43.34249881536591</moldb-polarizability>
  <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count>
  <moldb-acceptor-count>5</moldb-acceptor-count>
  <moldb-donor-count>3</moldb-donor-count>
  <moldb-pka-strongest-acidic>7.182636131216869</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>0.2689601481734716</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>5</moldb-number-of-rings>
  <moldb-alogps-logp>1.41</moldb-alogps-logp>
  <moldb-alogps-logs>-3.23</moldb-alogps-logs>
  <moldb-alogps-solubility>2.37e-01 g/l</moldb-alogps-solubility>
</compound>
