<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4442</id>
  <title>T3D4388</title>
  <common-name>CTX 3C</common-name>
  <description>The ciguatoxin CTX 3C is a highly lipophilic cyclic polyether ladder-shaped compound characterized by 13 ether rings, found in  the dinoflagellate Gambierdiscus toxicus. It has been reported to activate voltage-gated sodium channels   (A3463).</description>
  <cas>148471-85-6</cas>
  <pubchem-id>6442245</pubchem-id>
  <chemical-formula>C57H82O16</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></mechanism-of-toxicity>
  <metabolism></metabolism>
  <toxicity></toxicity>
  <lethaldose></lethaldose>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source></use-source>
  <min-risk-level></min-risk-level>
  <health-effects></health-effects>
  <symptoms></symptoms>
  <treatment></treatment>
  <created-at type="dateTime">2014-08-29T06:50:50Z</created-at>
  <updated-at type="dateTime">2026-05-21T00:20:43Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia></wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id>C20001</kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id></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]\C1=C([H])\[C@]2([H])O[C@]3([H])C[C@]([H])(O)[C@]4(C)O[C@]5([H])C[C@]([H])(C)C[C@]6([H])O[C@@]7([H])[C@]([H])(C[C@@]6([H])O[C@@]5([H])C[C@@]4([H])O[C@@]3([H])C\C([H])=C([H])\C[C@@]2([H])O[C@@]2([H])C=C[C@@]3([H])O[C@]4([H])[C@@]([H])(C[C@]3([H])O[C@]2([H])C1)O[C@@]1([H])CC=CCO[C@]1([H])[C@@]4([H])O)O[C@]1([H])[C@@]([H])(C)[C@]([H])(C)[C@@]2(CCCO2)O[C@@]1([H])[C@@]([H])(O)[C@]7([H])C</moldb-smiles>
  <moldb-formula>C57H82O16</moldb-formula>
  <moldb-inchi>InChI=1S/C57H82O16/c1-28-22-39-41(25-45-51(70-39)30(3)49(59)55-52(71-45)29(2)31(4)57(73-55)19-11-21-62-57)67-43-27-48-56(5,72-44(43)23-28)47(58)26-42-35(68-48)13-7-6-12-32-33(65-42)15-10-16-34-36(63-32)17-18-37-40(64-34)24-46-54(69-37)50(60)53-38(66-46)14-8-9-20-61-53/h6-10,15,17-18,28-55,58-60H,11-14,16,19-27H2,1-5H3/b7-6+,15-10-/t28-,29+,30+,31+,32-,33+,34-,35+,36+,37-,38+,39+,40+,41-,42-,43+,44-,45+,46-,47+,48-,49+,50-,51-,52-,53+,54-,55+,56+,57-/m1/s1</moldb-inchi>
  <moldb-inchikey>BFXGFCYTZARNGN-XHDDPMCTSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">1023.2514</moldb-average-mass>
  <moldb-mono-mass type="decimal">1022.560286576</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp></logp>
  <hmdb-id></hmdb-id>
  <chembl-id></chembl-id>
  <chemspider-id>4946333</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>CHEM003348</chemdb-id>
  <dsstox-id>DTXSID80880105</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00075612</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>180.67999999999998</moldb-polar-surface-area>
  <moldb-refractivity>265.87899999999985</moldb-refractivity>
  <moldb-polarizability>116.20532498802771</moldb-polarizability>
  <moldb-rotatable-bond-count>0</moldb-rotatable-bond-count>
  <moldb-acceptor-count>16</moldb-acceptor-count>
  <moldb-donor-count>3</moldb-donor-count>
  <moldb-pka-strongest-acidic>12.920457991039623</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-3.309479467083528</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>13</moldb-number-of-rings>
  <moldb-alogps-logp>3.32</moldb-alogps-logp>
  <moldb-alogps-logs>-5.26</moldb-alogps-logs>
  <moldb-alogps-solubility>5.58e-03 g/l</moldb-alogps-solubility>
</compound>
