<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">105954</id>
  <title nil="true"/>
  <common-name>Atpenin A5</common-name>
  <description>Atpenin A5 is an organic compound with the formula C15H21Cl2NO5 and an average molecular weight of 366.24 g/mol. Atpenin A5 belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds.

This compound is associated with four recorded protein targets. These targets include the succinate dehydrogenase flavoprotein subunit (sdhA), the succinate dehydrogenase iron-sulfur subunit (sdhB), the succinate dehydrogenase cytochrome b556 subunit (sdhC), and the succinate dehydrogenase hydrophobic membrane anchor subunit (sdhD).</description>
  <cas>119509-24-9</cas>
  <pubchem-id>54676868</pubchem-id>
  <chemical-formula>C15H21Cl2NO5</chemical-formula>
  <weight>366.2</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">2026-04-05T12:44:27Z</created-at>
  <updated-at type="dateTime">2026-08-19T11:48:11Z</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>DB04631</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>COC1=C(OC)C(O)=C(C(=O)[C@@H](C)C[C@H](C)[C@@H](Cl)CCl)C(=O)N1</moldb-smiles>
  <moldb-formula>C15H21Cl2NO5</moldb-formula>
  <moldb-inchi>InChI=1S/C15H21Cl2NO5/c1-7(9(17)6-16)5-8(2)11(19)10-12(20)13(22-3)15(23-4)18-14(10)21/h7-9H,5-6H2,1-4H3,(H2,18,20,21)/t7-,8-,9-/m0/s1</moldb-inchi>
  <moldb-inchikey>OVULNOOPECCZRG-CIUDSAMLSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">366.24</moldb-average-mass>
  <moldb-mono-mass type="decimal">365.0796781</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.64</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>CHEM101847</chemdb-id>
  <dsstox-id>DTXSID60152478</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00071063</susdat-id>
  <iupac>3-[(2S,4S,5R)-5,6-dichloro-2,4-dimethylhexanoyl]-4-hydroxy-5,6-dimethoxy-1,2-dihydropyridin-2-one</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>Organic oxygen compounds</superklass>
  <klass>Organooxygen compounds</klass>
  <subklass>Carbonyl compounds</subklass>
  <paper-count type="integer">278</paper-count>
  <sync-id>CED0013645</sync-id>
  <structure-inchikey>OVULNOOPECCZRG-CIUDSAMLSA-N</structure-inchikey>
  <structure-fingerprint>40000040000000000000800000000000000000000000000000200000000000000400001000000020000400000000000020000000400000000000000000040000000000000000000000200000000000000020000000800100001000000012000000000100010000000040000000000000000020800000000000000000000000000000000040000000000004200000000000000000000000000000000000000000000000000000000000000000080000000000000040000010000000000000040080000000000000012000000000000000000010000000000800004000800000400000000000000000000000080000000400000802000000000000000000000800</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAXAAAAFwAAAIABBgBgAAAAAQMIACgAAAAD
AgZAKAAAAAMEBkAoAAAAAwQIACgAAAADAgYAYAAAAAEDBkAoAAAAAwQIAGgA
AAADAQEGQCgAAAADBAYAKAAAAAMECAAoAAAAAwIGIDQAAAABAQQGAGAAAAAB
AwYAYAAAAAICBiA0AAAAAgEEBgBgAAAAAQMGIDQAAAABAQQRACAAAAABBgBg
AAAAAgIRACAAAAABBkAoAAAAAwQIACgAAAADAgdAOAAAAAMBAwsAAQABAiAC
A2gMAwQgBAUAAwZoDAYHIAYIaAwICSAJCigCCQsACwwACw0ADQ4ADg8ADhAA
EBEAEBIAEhMACBRoDBQVKAIUFmgMFgJoDEIBAAAABgIWFAgGAxcEAAAAAAAA
ABY=
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:41:58Z</structure-indexed-at>
</compound>
