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  3. HIT218679514
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HIT218679514
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HIT218679514
  • HIT ID:HIT218679514
  • Cas No:
  • 常用名:Caffeoylcalleryanin
  • IUPAC:(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
    IUPAC:(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
  • InChI key:VTHLSAOVZTYBRV-UHFFFAOYSA-N
  • 分子式:C22H24O11
  • 分子量:464.423
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:OCC1OC(Oc2ccc(COC(=O)C=Cc3ccc(O)c(O)c3)cc2O)C(O)C(O)C1O
    SMILES:OCC1OC(Oc2ccc(COC(=O)C=Cc3ccc(O)c(O)c3)cc2O)C(O)C(O)C1O
  • Caffeoylcalleryanin demonstrated potent inhibitory activity against 15-lipoxygenase (15-LOX), with an IC50 value of 1.59 μM. Furthermore, ethanol extract from A. pulchra leaves (EEAPL) was found to contain compounds exhibiting antiviral properties, particularly effective against Dengue virus type 2 (DENV-2). Among these compounds, Caffeoylcalleryanin emerged as the most potent anti-DENV-2 agent, achieving a selectivity index (SI) of 20.0.
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