<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">3118</id>
  <title>T3D3076</title>
  <common-name>Cicutoxin</common-name>
  <description>Cicutoxin is a plant toxin found in several species, most notably water hemlock (Cicuta species). It is a cholinergic poison, causing death by disruption of the central nervous system. (L1232)</description>
  <cas>505-75-9</cas>
  <pubchem-id>5281132</pubchem-id>
  <chemical-formula>C17H22O2</chemical-formula>
  <weight>258.161980</weight>
  <appearance>White powder.</appearance>
  <melting-point>54°C</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>Oral (ingestion) (L1817) ; dermal (L1817)</route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity>Cicutoxin is a cholinergic poison and disrupts the central nervous system. It does this by acting as a non-competitive antagonist at the GABA receptor. (L1232)</mechanism-of-toxicity>
  <metabolism nil="true"/>
  <toxicity>LD50: 48.3 mg/kg (Intraperitoneal, Mouse) (T13)</toxicity>
  <lethaldose nil="true"/>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>Cicutoxin is a plant toxin found in several species, most notably water hemlock (Cicuta species). (L1232)</use-source>
  <min-risk-level nil="true"/>
  <health-effects>Cicutoxin is a cholinergic poison and disrupts the central nervous system, leading to tremors, seizures, and death. (L1232)</health-effects>
  <symptoms>Cicutoxin produces nausea, emesis and abdominal pain, typically within 60 minutes of ingestion. (L1232)</symptoms>
  <treatment nil="true"/>
  <created-at type="dateTime">2009-07-23T18:26:05Z</created-at>
  <updated-at type="dateTime">2026-04-05T15:22:04Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C08402</kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id></chebi-id>
  <biocyc-id></biocyc-id>
  <ctd-id nil="true"/>
  <stitch-id>Cicutoxin</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>[H]\C(C#CC#CCCCO)=C(\[H])/C(/[H])=C(\[H])/C(/[H])=C(\[H])C(O)CCC</moldb-smiles>
  <moldb-formula>C17H22O2</moldb-formula>
  <moldb-inchi>InChI=1S/C17H22O2/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18/h4,6,8,10,12,15,17-19H,2,11,13-14,16H2,1H3/b6-4+,10-8+,15-12+</moldb-inchi>
  <moldb-inchikey>FQVNSJQTSOVRKZ-YNQQSWPQSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">258.361</moldb-average-mass>
  <moldb-mono-mass type="decimal">258.161979948</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id>CHEMBL453245</chembl-id>
  <chemspider-id>4444576</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>CHEM002414</chemdb-id>
  <dsstox-id>DTXSID30896918</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00075421</susdat-id>
  <iupac>(8E,10E,12E)-heptadeca-8,10,12-trien-4,6-diyne-1,14-diol</iupac>
</compound>
