<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">141401</id>
  <title nil="true"/>
  <common-name>Pimilprost</common-name>
  <description>Pimilprost belongs to the monoterpenoids, a subclass of prenol lipids within the organic compounds. This lipid-like molecule has the formula C23H40O5 and an average molecular weight of 396.57 g/mol.</description>
  <cas>139403-31-9</cas>
  <pubchem-id>5282140</pubchem-id>
  <chemical-formula>C23H40O5</chemical-formula>
  <weight>396.6</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">2026-04-15T17:43:49Z</created-at>
  <updated-at type="dateTime">2026-08-22T02:16:37Z</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>DB21009</drugbank-id>
  <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@@]12C[C@@H](CCOCC(=O)OC)C[C@]1([H])[C@@H](\C=C\[C@@H](O)C[C@@H](C)CCCC)[C@H](O)C2</moldb-smiles>
  <moldb-formula>C23H40O5</moldb-formula>
  <moldb-inchi>InChI=1S/C23H40O5/c1-4-5-6-16(2)11-19(24)7-8-20-21-13-17(12-18(21)14-22(20)25)9-10-28-15-23(26)27-3/h7-8,16-22,24-25H,4-6,9-15H2,1-3H3/b8-7+/t16-,17+,18+,19+,20+,21+,22+/m0/s1</moldb-inchi>
  <moldb-inchikey>SLDLSMFNGFIPNI-RXYUHBJGSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">396.568</moldb-average-mass>
  <moldb-mono-mass type="decimal">396.287574388</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.7</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>CHEM137294</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>methyl 2-[2-[(2R,3aS,4R,5R,6aS)-5-hydroxy-4-[(E,3S,5S)-3-hydroxy-5-methylnon-1-enyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]ethoxy]acetate</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">1</paper-count>
  <sync-id>CED0061578</sync-id>
  <structure-inchikey>SLDLSMFNGFIPNI-RXYUHBJGSA-N</structure-inchikey>
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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:52:08Z</structure-indexed-at>
</compound>
