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HIT212101617
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HIT212101617
  • HIT ID:HIT212101617
  • Cas No:150151-88-5
  • 常用名:Benastatin C
  • IUPAC:5,13,17,19-tetrahydroxy-22,22-dimethyl-7-pentylpentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{16,21}]docosa-1,3(12),4(9),5,7,10,13,16,18,20-decaen-15-one
    IUPAC:5,13,17,19-tetrahydroxy-22,22-dimethyl-7-pentylpentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{16,21}]docosa-1,3(12),4(9),5,7,10,13,16,18,20-decaen-15-one
  • InChI key:QUNHGOCXEGJZAT-UHFFFAOYSA-N
  • 分子式:C29H28O5
  • 分子量:456.538
  • 氢键供体数 (HBD):4
  • 氢键受体数 (HBA):5
  • LogP:8.494601
  • SMILES:CCCCCc1cc(O)c2c(ccc3c(O)c4C(=O)c5c(O)cc(O)cc5C(C)(C)c4cc23)c1
    SMILES:CCCCCc1cc(O)c2c(ccc3c(O)c4C(=O)c5c(O)cc(O)cc5C(C)(C)c4cc23)c1
  • Benastatin C is a polyketide synthase-derived benastatin that has been found inStreptomycesand has diverse biological activities.1,2It inhibits glutathione S-transferase (GST; IC50= 24 μg/ml for the rat liver enzyme).2Benastatin C also inhibits the esterase activity of isolated porcine pancreatic lipase (IC50= 10 μg/ml). It increases LPS- or concanavalin A-induced blastogenesis of isolated mouse spleen lymphocytes in a concentration-dependent manner.
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    TargetMolSC
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    ¥ 9,443.00
    1

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