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HIT214315860
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HIT214315860
  • HIT ID:HIT214315860
  • Cas No:76470-15-0
  • 常用名:Effusanin E
  • IUPAC:(1S,2S,3R,5S,8S,9S,10S,11R,15S)-3,9,10,15-tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.1^{5,8}.0^{1,11}.0^{2,8}]octadecan-7-one
    IUPAC:(1S,2S,3R,5S,8S,9S,10S,11R,15S)-3,9,10,15-tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.1^{5,8}.0^{1,11}.0^{2,8}]octadecan-7-one
  • InChI key:HLVWYILWVYNUAJ-LBQBBFOZSA-N
  • 分子式:C20H28O6
  • 分子量:364.438
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:[H][C@@]12C[C@@]3(C(=O)C1=C)[C@@]([H])([C@H](O)C2)[C@@]12CO[C@]3(O)[C@@H](O)[C@]1([H])C(C)(C)CC[C@@H]2O
    SMILES:[H][C@@]12C[C@@]3(C(=O)C1=C)[C@@]([H])([C@H](O)C2)[C@@]12CO[C@]3(O)[C@@H](O)[C@]1([H])C(C)(C)CC[C@@H]2O
  • Effusanin E shows antibacterial and anti-cancer activities, it significantly inhibits cell proliferation and induces apoptosis in NPC cells by suppressing p50/p65 proteins to down-regulate COX-2 expression .
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