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  • HIT ID
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  3. HIT218678217
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HIT218678217
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HIT218678217
  • HIT ID:HIT218678217
  • Cas No:
  • 常用名:Bequinostatin A
  • IUPAC:5,11,13,17,19-pentahydroxy-15,22-dioxo-7-pentylpentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{16,21}]docosa-1(14),2,4,6,8,12,16,18,20-nonaene-6-carboxylic acid
    IUPAC:5,11,13,17,19-pentahydroxy-15,22-dioxo-7-pentylpentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{16,21}]docosa-1(14),2,4,6,8,12,16,18,20-nonaene-6-carboxylic acid
  • InChI key:RKXRXHADKSOULC-UHFFFAOYSA-N
  • 分子式:C28H24O9
  • 分子量:504.491
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:CCCCCc1cc2CC(O)c3c(O)c4C(=O)c5c(O)cc(O)cc5C(=O)c4cc3-c2c(O)c1C(O)=O
    SMILES:CCCCCc1cc2CC(O)c3c(O)c4C(=O)c5c(O)cc(O)cc5C(=O)c4cc3-c2c(O)c1C(O)=O
  • Glutathione S-Transferase (GST) π-class inhibitor acts to inhibit a specific class within the GST enzyme family, targeting the π variant. This compound selectively blocks the activity of this enzyme, which plays a critical role in the detoxification of compounds by catalyzing their conjugation with glutathione.
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