Name: Aphadilactone B
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT213884532
Cas No:1522004-68-7
常用名:Aphadilactone B
IUPAC:(4R,7S)-4-(5,5-dimethyl-4-oxo-4,5-dihydrofuran-2-yl)-2,2-dimethyl-4,7-bis[(4E)-4-methyl-5-[(2S)-4-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]pent-4-en-1-yl]-2,3,4,5,6,7-hexahydro-1-benzofuran-3-one
IUPAC:(4R,7S)-4-(5,5-dimethyl-4-oxo-4,5-dihydrofuran-2-yl)-2,2-dimethyl-4,7-bis[(4E)-4-methyl-5-[(2S)-4-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]pent-4-en-1-yl]-2,3,4,5,6,7-hexahydro-1-benzofuran-3-one
InChI key:ZFQFRRMVMSIOAK-RVZIAXNASA-N

分子式:C40H52O8
分子量:660.848
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C\C(CCC[C@H]1CC[C@@](CCC\C(C)=C\[C@@H]2CC(C)=CC(=O)O2)(C2=CC(=O)C(C)(C)O2)C2=C1OC(C)(C)C2=O)=C/[C@@H]1CC(C)=CC(=O)O1 |c:18,33,47,t:24|
SMILES:C\C(CCC[C@H]1CC[C@@](CCC\C(C)=C\[C@@H]2CC(C)=CC(=O)O2)(C2=CC(=O)C(C)(C)O2)C2=C1OC(C)(C)C2=O)=C/[C@@H]1CC(C)=CC(=O)O1 |c:18,33,47,t:24|

Aphadilactone B shows significant antimalarial activity with the IC50 value of 1350 ± 150 nM.

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