<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">2577</id>
  <title>T3D2536</title>
  <common-name>Marinobufagenin</common-name>
  <description>Marinobufagin is a cardiotoxic bufanolide steroid secreted by certain toads (Bufo rubescens, Bufo marinus). It is a vasoconstrictor. (L1085)</description>
  <cas>470-42-8</cas>
  <pubchem-id>11969465</pubchem-id>
  <chemical-formula>C24H32O5</chemical-formula>
  <weight>400.224970</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 (L1816) </route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity>Marinobufagin blocks the sodium/potassium pump in heart tissue. (L1084, L1085)</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>Marinobufagin is a cardiotoxic bufanolide steroid secreted by certain toads (Bufo rubescens, Bufo marinus). (L1085)</use-source>
  <min-risk-level nil="true"/>
  <health-effects>Marinobufagin is cardiotoxic and also causes vasoconstriction. (L1085)</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. (L1085, 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></kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id></chebi-id>
  <biocyc-id></biocyc-id>
  <ctd-id>C093896</ctd-id>
  <stitch-id>Marinobufagenin</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>CC12CCC3C(CCC4(O)CC(O)CCC34C)C11OC1CC2C1=COC(=O)C=C1</moldb-smiles>
  <moldb-formula>C24H32O5</moldb-formula>
  <moldb-inchi>InChI=1S/C24H32O5/c1-21-8-5-15(25)12-23(21,27)10-7-17-16(21)6-9-22(2)18(11-19-24(17,22)29-19)14-3-4-20(26)28-13-14/h3-4,13,15-19,25,27H,5-12H2,1-2H3</moldb-inchi>
  <moldb-inchikey>InChIKey=JMNQTHQLNRILMH-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">400.5079</moldb-average-mass>
  <moldb-mono-mass type="decimal">400.224974134</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>
