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<compound>
  <id type="integer">4121</id>
  <title>T3D4067</title>
  <common-name>Convallatoxin</common-name>
  <description>Convallatoxin is a solid compound with the chemical formula C29H42O10. Convallatoxin belongs to the steroid lactones, a subclass of steroids and steroid derivatives within the organic compounds. With an average molecular weight of 550.64 g/mol, Convallatoxin is a heavy molecule. This exogenous substance functions biologically as a metabolite and is applied as a vasodilator agent.

The compound is found in 13 recorded sources across multiple sectors. Within healthcare, pharmaceuticals, and veterinary products, it is associated with medical devices. In the energy, oil, and gas sector, as well as industrial manufacturing and chemical processing, it is found in lubricants. It is also recorded in food packaging within the food, food processing, and cookware sector. Additionally, it appears in textiles, leather, and furnishings, specifically in carpets, rugs, and synthetic textiles. Its presence is further noted in electrical and electronic equipment, including batteries, capacitors, cell phones, printed circuit boards, wires, and cables, among one other sector. Recorded exposure routes for Convallatoxin include oral, inhalation, and touch.</description>
  <cas>508-75-8</cas>
  <pubchem-id>441852</pubchem-id>
  <chemical-formula>C29H42O10</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></route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity>Convallatoxin (CNT) is classified as a cardiac glycoside. Cardiac glycosides are well known Na+/K+-ATPase inhibitors, and some of them are used to treat congestive heart failure and atrial arrhythmias. Recent studies have reported that cardiac glycosides have potential as anticancer agents. CNT exerts cytotoxic effects on a number of cancer and normal cell lines and induces apoptosis by increasing caspase-3 and poly ADP ribose polymerase (PARP) cleavage. Moreover, dose- and time-dependent autophagic activity was detected in CNT-treated cells, and mammalian target of rapamycin (mTOR)/p70S6K signal pathway inhibition was observed. Notably, CNT inhibits human umbilical vein endothelial cell (HUVEC) growth and exerts anti-angiogenic activity in vitro and in vivo. (A15340)</mechanism-of-toxicity>
  <metabolism></metabolism>
  <toxicity></toxicity>
  <lethaldose></lethaldose>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>Convallatoxin is a glycoside extracted from Convallaria majalis. Convallatoxin is also isolated from the trunk bark of Antiaris toxicaria (A15340).</use-source>
  <min-risk-level></min-risk-level>
  <health-effects></health-effects>
  <symptoms></symptoms>
  <treatment></treatment>
  <created-at type="dateTime">2014-08-29T05:01:38Z</created-at>
  <updated-at type="dateTime">2026-03-26T23:03:41Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>Convallatoxin</wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id>C08858</kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id>CHEBI:27663</chebi-id>
  <biocyc-id></biocyc-id>
  <ctd-id></ctd-id>
  <stitch-id></stitch-id>
  <drugbank-id></drugbank-id>
  <pdb-id></pdb-id>
  <actor-id></actor-id>
  <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])(CC[C@]4(C=O)[C@@]3([H])CC[C@]12C)O[C@]1([H])O[C@@]([H])(C)[C@]([H])(O)[C@@]([H])(O)[C@@]1([H])O)C1=CC(=O)OC1</moldb-smiles>
  <moldb-formula>C29H42O10</moldb-formula>
  <moldb-inchi>InChI=1S/C29H42O10/c1-15-22(32)23(33)24(34)25(38-15)39-17-3-8-27(14-30)19-4-7-26(2)18(16-11-21(31)37-13-16)6-10-29(26,36)20(19)5-9-28(27,35)12-17/h11,14-15,17-20,22-25,32-36H,3-10,12-13H2,1-2H3/t15-,17-,18+,19-,20+,22-,23+,24+,25-,26+,27-,28-,29-/m0/s1</moldb-inchi>
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  <moldb-average-mass type="decimal">550.6378</moldb-average-mass>
  <moldb-mono-mass type="decimal">550.277797564</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp></logp>
  <hmdb-id></hmdb-id>
  <chembl-id>CHEMBL399336</chembl-id>
  <chemspider-id>390428</chemspider-id>
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  <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>CHEM003027</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00005101</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>162.98</moldb-polar-surface-area>
  <moldb-refractivity>136.78649999999996</moldb-refractivity>
  <moldb-polarizability>58.081799561246896</moldb-polarizability>
  <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count>
  <moldb-acceptor-count>9</moldb-acceptor-count>
  <moldb-donor-count>5</moldb-donor-count>
  <moldb-pka-strongest-acidic>7.182632190660242</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>0.26897033367503453</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>6</moldb-number-of-rings>
  <moldb-alogps-logp>0.14</moldb-alogps-logp>
  <moldb-alogps-logs>-3.03</moldb-alogps-logs>
  <moldb-alogps-solubility>5.18e-01 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Lipids and lipid-like molecules</superklass>
  <klass>Steroids and steroid derivatives</klass>
  <subklass>Steroid lactones</subklass>
  <paper-count type="integer">128</paper-count>
  <sync-id>CED0013797</sync-id>
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  <structure-indexed-at type="dateTime">2026-09-19T04:01:05Z</structure-indexed-at>
</compound>
