<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">353642</id>
  <title nil="true"/>
  <common-name>4-ethyl-8-(hydroxy-phenyl-pyridin-2-ylmethyl)-10-[phenyl(pyridin-2-yl)methylidene]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione</common-name>
  <description>4-ethyl-8-(hydroxy-phenyl-pyridin-2-ylmethyl)-10-[phenyl(pyridin-2-yl)methylidene]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is a chemical compound with the formula C35H29N3O3. With an average molecular weight of 539.60 g/mol, 4-ethyl-8-(hydroxy-phenyl-pyridin-2-ylmethyl)-10-[phenyl(pyridin-2-yl)methylidene]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>11979888</pubchem-id>
  <chemical-formula>C35H29N3O3</chemical-formula>
  <weight>539.6</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">2026-08-31T20:39:30Z</created-at>
  <updated-at type="dateTime">2026-08-31T20:39:30Z</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>CCN1C(=O)C2C3C=C(C(C2C1=O)C3=C(C4=CC=CC=C4)C5=CC=CC=N5)C(C6=CC=CC=C6)(C7=CC=CC=N7)O</moldb-smiles>
  <moldb-formula>C35H29N3O3</moldb-formula>
  <moldb-inchi>InChI=1S/C35H29N3O3/c1-2-38-33(39)30-24-21-25(35(41,23-15-7-4-8-16-23)27-18-10-12-20-37-27)31(32(30)34(38)40)29(24)28(22-13-5-3-6-14-22)26-17-9-11-19-36-26/h3-21,24,30-32,41H,2H2,1H3</moldb-inchi>
  <moldb-inchikey>UGMJTOLQCHVVTK-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">539.2208918</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.6</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>CHEM349535</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>4-ethyl-8-(hydroxy-phenyl-pyridin-2-ylmethyl)-10-[phenyl(pyridin-2-yl)methylidene]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione</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>Sesquiterpenoids</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0303924</sync-id>
  <structure-inchikey>UGMJTOLQCHVVTK-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000002000000000008000000020000000000000000000800000000000400008000000020000230080000000000020040000000000010080200100000000000000000000800001000800000804000000200000000800000000000000000020000000000100000000040100000000000100020001000000000000000000001000000000400000008000000000000000100000008001000000000000001000400000000000000000000000000841000010400000000c4000000000000000000020000040020000200000000000000000000000000000000000000200000000000000000000000000002040000000080000000000000000004000000040000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������)���/���€���`�������`�������(�������(�������(�������`�������`�������h��������(�������`�������`�������(�������(�������(�������(������@(������@h�������@h�������@h�������@h�������@h�������@(������@h�������@h�������@h�������@h�������@(������� �����@(������@h�������@h�������@h�������@h�������@h�������@(������@h�������@h�������@h�������@h�������@(�������`�������������� ��(���������������	�	
�
����(�	��(��� ��h���h���h���h���h��� ��h���h���h���h���h���������h���h���h�� h� !h��"�"#h�#$h�$%h�%&amp;h�&amp;'h��(��� 
������h���h�!�h�'"h�B��������
����	������������������� !��#$%&amp;'"���	
����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:51:25Z</structure-indexed-at>
</compound>
