<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4105</id>
  <title>T3D4051</title>
  <common-name>Gymnodimine</common-name>
  <description>Gymnodimine is found in mollusks. Gymnodimine is isolated from New Zealand oysters (Tiostrea chilensis) and the dinoflagellate Gymnodinium cf. mikimotoi.</description>
  <cas>173792-58-0</cas>
  <pubchem-id>10436276</pubchem-id>
  <chemical-formula>C32H45NO4</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>Gymnodimine exerts its toxic effects via binding to nicotinic acetylcholine receptors with picomolar affinities with no sign of apparent reversibility in short time frames. The toxicity of gymnodimine has been attributed, at least in part, to the imine functionality as its reduction leads to a non-toxic derivative. Gymnodimine and 13-desmethyl spirolide C bound to acetylcholine binding proteins. (A15418)</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>Gymnodimine is found in mollusks. Gymnodimine is isolated from New Zealand oysters (Tiostrea chilensis) and the dinoflagellate Gymnodinium cf.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-08-29T04:58:27Z</created-at>
  <updated-at type="dateTime">2016-11-09T01:09:01Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C20025</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>CC1CC2CCC(O)C(C)=CC3C(C)=C(CCC33CCCN=C3CC\C=C(C)\C1O2)C1OC(=O)C(C)=C1</moldb-smiles>
  <moldb-formula>C32H45NO4</moldb-formula>
  <moldb-inchi>InChI=1S/C32H45NO4/c1-19-8-6-9-29-32(13-7-15-33-29)14-12-25(28-18-22(4)31(35)37-28)23(5)26(32)17-20(2)27(34)11-10-24-16-21(3)30(19)36-24/h8,17-18,21,24,26-28,30,34H,6-7,9-16H2,1-5H3/b19-8+,20-17+</moldb-inchi>
  <moldb-inchikey>DVXZVCNEGRKLMW-DCJZOFSYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">507.704</moldb-average-mass>
  <moldb-mono-mass type="decimal">507.334858933</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id>HMDB41430</hmdb-id>
  <chembl-id nil="true"/>
  <chemspider-id>8611700</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 nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM003011</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>5-[(2E)-19-hydroxy-2,15,18,24-tetramethyl-25-oxa-7-azatetracyclo[20.2.1.0⁶,¹¹.0¹¹,¹⁶]pentacosa-2,6,14,17-tetraen-14-yl]-3-methyl-2,5-dihydrofuran-2-one</iupac>
</compound>
