<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">350966</id>
  <title nil="true"/>
  <common-name>(4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl) 2-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)sulfanylacetate</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>167312535</pubchem-id>
  <chemical-formula>C30H44N2O5S</chemical-formula>
  <weight>544.7</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">2026-08-31T16:22:20Z</created-at>
  <updated-at type="dateTime">2026-08-31T16:22:20Z</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>CC1CCC23CCC(=O)C2C1(C(CC(C(C3C)O)(C)C=C)OC(=O)CSC4=NC(=CC(=N4)OC(C)C)C)C</moldb-smiles>
  <moldb-formula>C30H44N2O5S</moldb-formula>
  <moldb-inchi>InChI=1S/C30H44N2O5S/c1-9-28(7)15-22(37-24(34)16-38-27-31-19(5)14-23(32-27)36-17(2)3)29(8)18(4)10-12-30(20(6)26(28)35)13-11-21(33)25(29)30/h9,14,17-18,20,22,25-26,35H,1,10-13,15-16H2,2-8H3</moldb-inchi>
  <moldb-inchikey>LLDFPCVMAZVYJT-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">544.2970937</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6.6</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>CHEM346859</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-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl) 2-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)sulfanylacetate</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>Diterpenoids</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0301270</sync-id>
  <structure-inchikey>LLDFPCVMAZVYJT-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000400800000000800000400000000000000100000000000400000001000800020000004000000202000000000000000000000000000100000000000001011100000000000002000002020008001000300000000000000000000000000010000000000000200100000000000020000000000000020000000100000000048000002000000000200000020200000400000400000000000400020000000040004000000000208082000200800000000000000004000000000800000000000240000000000000000040000000000000000002010200001000000000000000200000001000040402008000400000000018000200000020000200200</structure-fingerprint>
  <structure-pattern-fingerprint>7016c00085328e6089d85b67c1b8b3089a8014929107a050803d60408a20ea4c7422001913a0000c8142410880c020c00d6042a4408e323d21ee6d39c2a04104c7119c8d12941600009012601b7263006804c591d3615e374284456244225b85cc78452f104c322060ab8480ddb4024530869672a10de586394a2c71a2550907524418094ef8a6080c0633d0c82c0288391c9a5244429f9a54240c2062c0e68545d310b309b2d3220b064968916d75144ec32003a94108c018b04eb04cc04252a20110a4a49a0b33198024a2d71542d98d056030037470208d7026062a00030291386d7418894534110c8411d916a0860e500634d0c2250f1308934cd6020802</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������&amp;���)���€���`�������`�������`�������`������� ������`�������`�������(�������(�������`������� ������`�������`������� ������`�������`�������`�������`�������`�������h��������h��������(�������(�������(�������`������� �����@(������@(������@(������@h�������@(������@(�������(�������`�������`�������`�������`�������`��������������������������������	�	
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������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:48:55Z</structure-indexed-at>
</compound>
