Name: Taccalonolide AJ
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT213886674
Cas No:1349904-82-0
常用名:Taccalonolide AJ
别名:根薯酮内酯AJ
IUPAC:(3R,5S,7S,9S,10R,11R,13S,14R,15R,17S,18S,20S,23S,24S,26R)-13,14-bis(acetyloxy)-3,23,26-trihydroxy-11,15,17,23,24-pentamethyl-4,22-dioxo-8,19,21-trioxaoctacyclo[13.11.0.0^{2,12}.0^{5,11}.0^{7,9}.0^{16,25}.0^{18,20}.0^{20,24}]hexacosan-10-yl acetate
IUPAC:(3R,5S,7S,9S,10R,11R,13S,14R,15R,17S,18S,20S,23S,24S,26R)-13,14-bis(acetyloxy)-3,23,26-trihydroxy-11,15,17,23,24-pentamethyl-4,22-dioxo-8,19,21-trioxaoctacyclo[13.11.0.0^{2,12}.0^{5,11}.0^{7,9}.0^{16,25}.0^{18,20}.0^{20,24}]hexacosan-10-yl acetate
InChI key:BWKYBGRKQMTOQL-ZGUYORLTSA-N

分子式:C34H44O14
分子量:676.712
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@@H]1[C@@H]2O[C@@]22OC(=O)[C@@](C)(O)[C@]2(C)C2[C@H](O)C3C4[C@@H](O)C(=O)[C@H]5C[C@@H]6O[C@@H]6[C@H](OC(C)=O)[C@]5(C)C4[C@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(C)C12
SMILES:C[C@@H]1[C@@H]2O[C@@]22OC(=O)[C@@](C)(O)[C@]2(C)C2[C@H](O)C3C4[C@@H](O)C(=O)[C@H]5C[C@@H]6O[C@@H]6[C@H](OC(C)=O)[C@]5(C)C4[C@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(C)C12

Taccalonolide AJ is a microtubule stabilizer; it has excellent and highly persistent antitumor efficacy when administered directly to the tumor, suggesting that the lack of antitumor efficacy seen with systemic administration of AJ is likely due to its short half-life in vivo.

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