Name: Shizukaol C
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT213884876
Cas No:142279-41-2
常用名:Shizukaol C
IUPAC:[(1R,2S,8R,9S,10S,12R,13S,14S,17S,19R,20S,21R,23Z)-9,21-dihydroxy-5-(hydroxymethyl)-23-(1-methoxy-1-oxopropan-2-ylidene)-13,20-dimethyl-4,22-dioxo-3-oxaoctacyclo[14.7.1.0^{2,6}.0^{2,14}.0^{8,13}.0^{10,12}.0^{17,19}.0^{20,24}]tetracosa-5,16(24)-dien-9-yl]methyl (2E)-2-methylbut-2-enoate
IUPAC:[(1R,2S,8R,9S,10S,12R,13S,14S,17S,19R,20S,21R,23Z)-9,21-dihydroxy-5-(hydroxymethyl)-23-(1-methoxy-1-oxopropan-2-ylidene)-13,20-dimethyl-4,22-dioxo-3-oxaoctacyclo[14.7.1.0^{2,6}.0^{2,14}.0^{8,13}.0^{10,12}.0^{17,19}.0^{20,24}]tetracosa-5,16(24)-dien-9-yl]methyl (2E)-2-methylbut-2-enoate
InChI key:KDKIOCIPCJDWMT-ADSFGAOYSA-N

分子式:C36H42O10
分子量:634.722
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COC(=O)C(\C)=C1\[C@H]2C3=C(C[C@H]4[C@@]5(C)[C@@H]6C[C@@H]6[C@@](O)(COC(=O)C(\C)=C\C)[C@@H]5CC5=C(CO)C(=O)O[C@]245)[C@H]2C[C@H]2[C@]3(C)[C@@H](O)C1=O |c:8,31|
SMILES:COC(=O)C(\C)=C1\[C@H]2C3=C(C[C@H]4[C@@]5(C)[C@@H]6C[C@@H]6[C@@](O)(COC(=O)C(\C)=C\C)[C@@H]5CC5=C(CO)C(=O)O[C@]245)[C@H]2C[C@H]2[C@]3(C)[C@@H](O)C1=O |c:8,31|

1. Shizukaol C shows anti-HIV-1 replication activities in both wild-type HIV-1 and two NNRTIs-resistant strains. <br/> 2. Shizukaol C has significant cytotoxicities against C8166 cells. <br/>

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