<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">355475</id>
  <title nil="true"/>
  <common-name>Ethyl-[4-[[4-[ethyl-[(4-methylcyclohexyl)methyl]amino]cyclohexyl]-(4-hydroxy-2-methylcyclohexyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-[(4-methylcyclohexyl)methyl]azanium</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>6850774</pubchem-id>
  <chemical-formula>C40H67N2O+</chemical-formula>
  <weight>592</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <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 nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-09-01T00:01:25Z</created-at>
  <updated-at type="dateTime">2026-09-01T00:01:25Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <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>CCN(CC1CCC(CC1)C)C2CCC(CC2)C(=C3C=CC(=[N+](CC)CC4CCC(CC4)C)C=C3)C5CCC(CC5C)O</moldb-smiles>
  <moldb-formula>C40H67N2O+</moldb-formula>
  <moldb-inchi>InChI=1S/C40H67N2O/c1-6-41(27-32-12-8-29(3)9-13-32)36-20-16-34(17-21-36)40(39-25-24-38(43)26-31(39)5)35-18-22-37(23-19-35)42(7-2)28-33-14-10-30(4)11-15-33/h16-17,20-21,29-33,35,37-39,43H,6-15,18-19,22-28H2,1-5H3/q+1</moldb-inchi>
  <moldb-inchikey>KDXVTVXLJQZDDQ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">591.5253398</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>9.7</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <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>CHEM351368</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>Ethyl-[4-[[4-[ethyl-[(4-methylcyclohexyl)methyl]amino]cyclohexyl]-(4-hydroxy-2-methylcyclohexyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-[(4-methylcyclohexyl)methyl]azanium</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Lipids and lipid-like molecules</superklass>
  <klass>Prenol lipids</klass>
  <subklass>Monoterpenoids</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0305727</sync-id>
  <structure-inchikey>KDXVTVXLJQZDDQ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400004000000000000800000002000000000000200400000004080000000000000000002000000400000000000000000000000000000000000000000000000000000001000080000020000000000000000000000000000000000000000001000800000a14000002000100000004000200000020800000000060000000000100000002040010000000000000000080820000000000000000000000000400000000800040006000000000000080000000000008009000400000000000000000000000000200000000000000010000000010000000002000000000000000000000000002000000000100040000000000040000000001000000004000000400080</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������+���/���€���`�������`������� ������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������(�������(�������h��������h��������(������ *��������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������h��������h��������`�������`�������`�������`�������`�������`�������`�������`�������������������������������	��
����������������������(��� ��(��� ��(����������������������������� ��! !"(��#�#$�$%�%&amp;�&amp;'�'(�()�&amp;*�	�����"� ���(#�B���������	�����������!"���������$%&amp;'(#����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:53:23Z</structure-indexed-at>
</compound>
