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HIT214319825
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HIT214319825
  • HIT ID:HIT214319825
  • Cas No:21884-44-6
  • 常用名:Luteoskyrin
  • 别名:Flavomycelin
  • IUPAC:(1S,2R,13S,14R,15S,16S,17R,28R)-5,8,12,14,20,23,27,28-octahydroxy-6,21-dimethyloctacyclo[14.11.1.0^{2,11}.0^{2,15}.0^{4,9}.0^{13,17}.0^{17,26}.0^{19,24}]octacosa-4(9),5,7,11,19(24),20,22,26-octaene-3,10,18,25-tetrone
    IUPAC:(1S,2R,13S,14R,15S,16S,17R,28R)-5,8,12,14,20,23,27,28-octahydroxy-6,21-dimethyloctacyclo[14.11.1.0^{2,11}.0^{2,15}.0^{4,9}.0^{13,17}.0^{17,26}.0^{19,24}]octacosa-4(9),5,7,11,19(24),20,22,26-octaene-3,10,18,25-tetrone
  • InChI key:KXNUPFFSGSRABD-TZRHFUAUSA-N
  • 分子式:C30H22O12
  • 分子量:574.494
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:[H][C@@]12[C@H](O)[C@@]3([H])[C@]4([H])[C@@H](O)[C@@]([H])(C(O)=C5C(=O)c6c(O)cc(C)c(O)c6C(=O)[C@@]145)[C@]31C(=O)c3c(O)c(C)cc(O)c3C(=O)C1=C2O |c:50,t:13,TLB:30:29:8:12.14.28,9:8:29.4:12.14.28,3:2:6.28:29.44.43,26:28:2:29.44.43,THB:30:29:6.28:2,8:6:2:29.44.43,10:29:6.28:2,1:28:29.4:8,2:4:8:12.14.28,43:29:8:12.14.28|
    SMILES:[H][C@@]12[C@H](O)[C@@]3([H])[C@]4([H])[C@@H](O)[C@@]([H])(C(O)=C5C(=O)c6c(O)cc(C)c(O)c6C(=O)[C@@]145)[C@]31C(=O)c3c(O)c(C)cc(O)c3C(=O)C1=C2O |c:50,t:13,TLB:30:29:8:12.14.28,9:8:29.4:12.14.28,3:2:6.28:29.44.43,26:28:2:29.44.43,THB:30:29:6.28:2,8:6:2:29.44.43,10:29:6.28:2,1:28:29.4:8,2:4:8:12.14.28,43:29:8:12.14.28|
  • Luteoskyrin is a hepatotoxic and hepatocarcinogenic bisdihydroanthraquinone produced by Penicillium islandicum Sopp.
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