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HIT214315965
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HIT214315965
  • HIT ID:HIT214315965
  • Cas No:16964-56-0
  • 常用名:Isodonal
  • IUPAC:(1S,1'S,2R,6S,6'S,7'S,9'S)-2-formyl-7'-hydroxy-3,3-dimethyl-10'-methylidene-2',11'-dioxo-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.0^{1,6}]dodecan]-6-yl acetate
    IUPAC:(1S,1'S,2R,6S,6'S,7'S,9'S)-2-formyl-7'-hydroxy-3,3-dimethyl-10'-methylidene-2',11'-dioxo-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.0^{1,6}]dodecan]-6-yl acetate
  • InChI key:ORDKVFHKMGUXSQ-MVVUPFSZSA-N
  • 分子式:C22H28O7
  • 分子量:404.459
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:[H][C@@]12[C@@H](O)C[C@@H]3C[C@]1(C(=O)C3=C)C(=O)OC[C@]21[C@H](CCC(C)(C)[C@H]1C=O)OC(C)=O
    SMILES:[H][C@@]12[C@@H](O)C[C@@H]3C[C@]1(C(=O)C3=C)C(=O)OC[C@]21[C@H](CCC(C)(C)[C@H]1C=O)OC(C)=O
  • Isodonal shows abilities to inhibit K562 cells camparable to that of cisplatin.
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    TargetMolSC
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