Name: Rhuscholide A
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT213886539
Cas No:944804-58-4
常用名:Rhuscholide A
IUPAC:5-hydroxy-3-(propan-2-ylidene)-7-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]-2,3-dihydro-1-benzofuran-2-one
IUPAC:5-hydroxy-3-(propan-2-ylidene)-7-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]-2,3-dihydro-1-benzofuran-2-one
InChI key:LPJLAXYRFCLYIG-HBKYZHKXSA-N

分子式:C31H42O3
分子量:462.674
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1cc(-[#8])cc2\[#6](=[#6](/[#6])-[#6])-[#6](=O)-[#8]-c12
SMILES:[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1cc(-[#8])cc2\[#6](=[#6](/[#6])-[#6])-[#6](=O)-[#8]-c12

Rhuscholide A possesses significant anti-HIV-1 activity with an EC50 value of 1.62 microM and a therapeutic index (TI) of 42.40.

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