<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4131</id>
  <title>T3D4077</title>
  <common-name>Echimidine</common-name>
  <description>Echimidine is a solid compound with the chemical formula C20H31NO7 and an average molecular weight of 397.46 g/mol. It is exogenous in origin. Echimidine belongs to the alkaloids and derivatives, a superclass within the organic compounds.

This substance has been found in or released from 14 recorded sources across multiple sectors. In the healthcare, pharmaceuticals, and veterinary products sector, it is associated with medical devices. Within the food, food processing, and cookware sector, it is linked to food packaging. It is present in drinking water and water supply systems. In the energy, oil, and gas sector, it is found in lubricants. Furthermore, it is recorded in electrical and electronic equipment, including batteries, printed circuit boards, capacitors, wires and cables, and cell phones, as well as one additional item in that category. In the textiles, leather, and furnishings sector, it is found in synthetic textiles and carpets and rugs. Two additional sectors are also recorded as sources. Exposure to echimidine can occur through inhalation, oral ingestion, and touch.</description>
  <cas>520-68-3</cas>
  <pubchem-id>5281729</pubchem-id>
  <chemical-formula>C20H31NO7</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>Echimidine is a major hepatotoxic dehydropyrrolizidine alkaloid toxin produced by Echium plantagineum. It can be detected in honey produced by bees foraging on Echium plantagineum.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-08-29T05:03:27Z</created-at>
  <updated-at type="dateTime">2026-05-20T18:28:01Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C10299</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>[H]\C(C)=C(/C)C(=O)O[C@]1([H])CCN2CC=C(COC(=O)[C@@](O)([C@]([H])(C)O)C(C)(C)O)[C@]12[H]</moldb-smiles>
  <moldb-formula>C20H31NO7</moldb-formula>
  <moldb-inchi>InChI=1S/C20H31NO7/c1-6-12(2)17(23)28-15-8-10-21-9-7-14(16(15)21)11-27-18(24)20(26,13(3)22)19(4,5)25/h6-7,13,15-16,22,25-26H,8-11H2,1-5H3/b12-6-/t13-,15+,16+,20-/m0/s1</moldb-inchi>
  <moldb-inchikey>HRSGCYGUWHGOPY-LYHHMGRNSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">397.4626</moldb-average-mass>
  <moldb-mono-mass type="decimal">397.210052351</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id>CHEMBL2269162</chembl-id>
  <chemspider-id>4445044</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>CHEM003037</chemdb-id>
  <dsstox-id>DTXSID501020028</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00067006</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>116.53000000000002</moldb-polar-surface-area>
  <moldb-refractivity>103.37739999999998</moldb-refractivity>
  <moldb-polarizability>41.65543602576242</moldb-polarizability>
  <moldb-rotatable-bond-count>9</moldb-rotatable-bond-count>
  <moldb-acceptor-count>6</moldb-acceptor-count>
  <moldb-donor-count>3</moldb-donor-count>
  <moldb-pka-strongest-acidic>10.546860581751375</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>7.135902656484478</moldb-pka-strongest-basic>
  <moldb-physiological-charge>1</moldb-physiological-charge>
  <moldb-number-of-rings>2</moldb-number-of-rings>
  <moldb-alogps-logp>0.98</moldb-alogps-logp>
  <moldb-alogps-logs>-2.25</moldb-alogps-logs>
  <moldb-alogps-solubility>2.24e+00 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Alkaloids and derivatives</superklass>
  <klass nil="true"/>
  <subklass nil="true"/>
  <paper-count type="integer">139</paper-count>
  <sync-id>CED0017151</sync-id>
  <structure-inchikey>HRSGCYGUWHGOPY-LYHHMGRNSA-N</structure-inchikey>
  <structure-fingerprint>4001000000000000020080020020200000001000000000000000000010000000000200100000000000000000000000000080100080000000000000000000000000000200000020000000400000400000002000004000030000000080004000000100000201020000000800000000000000000002010000000000000000000050000000004000000000000000020000000000008000000000000000000000000000000000800404002000000008000000800000000000000000800000000000000000000000000000004000000000000000000004000000000000000000000400000000000000000a000040000000080400000000000000080000000040000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAcAAAAHQAAAIABBgA4AAAAAwEEBgBgAAAA
AQMGACgAAAADBAYAYAAAAAEDBgAoAAAAAwQIACgAAAADAggAKAAAAAMCBiA0
AAAAAgEEBgBgAAAAAgIGAGAAAAACAgcAIAAAAAMGAGAAAAACAgYAaAAAAAMD
AQYAKAAAAAMEBgBgAAAAAgIIACgAAAADAgYAKAAAAAMECAAoAAAAAwIGICQA
AAABBAgAYAAAAAEBBiA0AAAAAgEEBgBgAAAAAQMIAGAAAAABAQYAIAAAAAQG
AGAAAAABAwYAYAAAAAEDCABgAAAAAQEGIDQAAAACAQQLAAEEAwACKgICAgEE
AgMEBAIEIAQFKAIEBiAGBwAHCAAICQAJCgAKCwALDAAMDQgCDQ4ADg8ADxAg
EBEoAhASABITABIUABQVABQWABIXABcYABcZABcaAA0bABsHABsKAEICAAAA
BQcICQobBQsKGw0MFwQAAAAAAAAAFg==
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:01:05Z</structure-indexed-at>
</compound>
