Name: Rediocide C
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214317004
Cas No:677277-98-4
常用名:Rediocide C
IUPAC:(1R,2S,5R,6S,7S,8R,10S,11S,14Z,16Z,18R,19S,22R,24R,25S,26R,28S,30S,31R,33S)-6,7,24,25-tetrahydroxy-5-(hydroxymethyl)-10,24,31,33-tetramethyl-13-oxo-28-phenyl-4,12,27,29,32-pentaoxaoctacyclo[26.3.1.1^{19,22}.0^{1,8}.0^{2,26}.0^{3,5}.0^{7,11}.0^{25,30}]tritriaconta-14,16-dien-18-yl benzoate
IUPAC:(1R,2S,5R,6S,7S,8R,10S,11S,14Z,16Z,18R,19S,22R,24R,25S,26R,28S,30S,31R,33S)-6,7,24,25-tetrahydroxy-5-(hydroxymethyl)-10,24,31,33-tetramethyl-13-oxo-28-phenyl-4,12,27,29,32-pentaoxaoctacyclo[26.3.1.1^{19,22}.0^{1,8}.0^{2,26}.0^{3,5}.0^{7,11}.0^{25,30}]tritriaconta-14,16-dien-18-yl benzoate
InChI key:ZDIWBBJUVBDSOV-JFPUYSSKSA-N

分子式:C46H54O13
分子量:814.925
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12CC[C@@]([H])([C@H]1C)[C@H](OC(=O)c1ccccc1)\C=C/C=C\C(=O)O[C@@]1([H])[C@@H](C)C[C@]3([H])[C@]1(O)[C@H](O)[C@@]1(CO)OC1[C@@]1([H])[C@@]4([H])O[C@@]5(O[C@@]([H])([C@@H](C)[C@]31O5)[C@@]4(O)[C@](C)(O)C2)c1ccccc1 |c:20,22|
SMILES:[H][C@]12CC[C@@]([H])([C@H]1C)[C@H](OC(=O)c1ccccc1)\C=C/C=C\C(=O)O[C@@]1([H])[C@@H](C)C[C@]3([H])[C@]1(O)[C@H](O)[C@@]1(CO)OC1[C@@]1([H])[C@@]4([H])O[C@@]5(O[C@@]([H])([C@@H](C)[C@]31O5)[C@@]4(O)[C@](C)(O)C2)c1ccccc1 |c:20,22|

Rediocide C exhibits antimycobacterial activity, with the MIC value of 3.84 uM; it also exhibits potent activity against D. pteronyssinus with respective LC50 values of 5.59 microg/cm2.

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