<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4173</id>
  <title>T3D4119</title>
  <common-name>gamma-Coniceine</common-name>
  <description>Gamma-coniceine, a partly unsaturated piperidine alkaloid, is the most toxic chemical found in Hemlock. It is abundant in leaves and flowers but less common in the fruits, where it is quickly converted to coniine and N-methylconiine. Gamma coniceine is the precursor of the other alkaloids in poison hemlock</description>
  <cas>1604-01-9</cas>
  <pubchem-id>442632</pubchem-id>
  <chemical-formula>C8H15N</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 nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>Gamma-coniceine, a partly unsaturated piperidine alkaloid, is the most toxic chemical found in Hemlock.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-08-29T05:18:31Z</created-at>
  <updated-at type="dateTime">2026-05-21T01:39:47Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C10138</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>CCCC1=NCCCC1</moldb-smiles>
  <moldb-formula>C8H15N</moldb-formula>
  <moldb-inchi>InChI=1S/C8H15N/c1-2-5-8-6-3-4-7-9-8/h2-7H2,1H3</moldb-inchi>
  <moldb-inchikey>PQSOVRNZJIENNW-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">125.2114</moldb-average-mass>
  <moldb-mono-mass type="decimal">125.120449485</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>390996</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>CHEM003079</chemdb-id>
  <dsstox-id>DTXSID00166872</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00094588</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>12.36</moldb-polar-surface-area>
  <moldb-refractivity>39.872800000000005</moldb-refractivity>
  <moldb-polarizability>15.79195970576485</moldb-polarizability>
  <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count>
  <moldb-acceptor-count>1</moldb-acceptor-count>
  <moldb-donor-count>0</moldb-donor-count>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic>9.68244214865595</moldb-pka-strongest-basic>
  <moldb-physiological-charge>1</moldb-physiological-charge>
  <moldb-number-of-rings>1</moldb-number-of-rings>
  <moldb-alogps-logp>3.54</moldb-alogps-logp>
  <moldb-alogps-logs>-2.88</moldb-alogps-logs>
  <moldb-alogps-solubility>1.64e-01 g/l</moldb-alogps-solubility>
</compound>
