<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">2576</id>
  <title>T3D2535</title>
  <common-name>Cinobufagin</common-name>
  <description>Cinobufagin is a cardiotoxic bufanolide steroid secreted by the Asiatic toad (Bufo gargarizans). (L1083)</description>
  <cas>470-37-1</cas>
  <pubchem-id>10103</pubchem-id>
  <chemical-formula>C26H34O6</chemical-formula>
  <weight>442.235540</weight>
  <appearance>White powder.</appearance>
  <melting-point></melting-point>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility></solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure>Ingestion (A2837) </route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity>Cinobufagin blocks the sodium/potassium pump in heart tissue. (L1083, L1084)</mechanism-of-toxicity>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>Cinobufagin is a cardiotoxic bufanolide steroid secreted by the Asiatic toad (Bufo gargarizans). (L1083)</use-source>
  <min-risk-level nil="true"/>
  <health-effects>Cinobufagin is cardiotoxic. (L1083)</health-effects>
  <symptoms>Symptoms include nausea, vomiting, anorexia, diarrhoea, abdominal pain, wild hallucinations, delirium, and severe headache. Depending on the severity the victim may later suffer irregular and slow pulse, tremors, various cerebral disturbances, especially of a visual nature, convulsions, and deadly disturbances of the heart such as heart block, brachycardia, or tachycardia. (L1083, L1084)</symptoms>
  <treatment nil="true"/>
  <created-at type="dateTime">2009-07-03T22:19:15Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:25:40Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C16931</kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id></chebi-id>
  <biocyc-id></biocyc-id>
  <ctd-id>C002471</ctd-id>
  <stitch-id>Cinobufagin</stitch-id>
  <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>CC(=O)OC1C2OC22C3CCC4CC(O)CCC4(C)C3CCC2(C)C1C1=CC(=O)OC=C1</moldb-smiles>
  <moldb-formula>C26H34O6</moldb-formula>
  <moldb-inchi>InChI=1S/C26H34O6/c1-14(27)31-22-21(15-8-11-30-20(29)12-15)25(3)10-7-18-19(26(25)23(22)32-26)5-4-16-13-17(28)6-9-24(16,18)2/h8,11-12,16-19,21-23,28H,4-7,9-10,13H2,1-3H3</moldb-inchi>
  <moldb-inchikey>InChIKey=BNZAGRNEEMGADQ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">442.5446</moldb-average-mass>
  <moldb-mono-mass type="decimal">442.23553882</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <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"/>
</compound>
