Name: Pseudopterosin E
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212717837
Cas No:121011-80-1
常用名:Pseudopterosin E
IUPAC:(2S,3S,4R,5S,6S)-2-{[(1S,3R,7S,9aR)-6-hydroxy-1,4,7-trimethyl-3-(2-methylprop-1-en-1-yl)-2,3,7,8,9,9a-hexahydro-1H-phenalen-5-yl]oxy}-6-methyloxane-3,4,5-triol
IUPAC:(2S,3S,4R,5S,6S)-2-{[(1S,3R,7S,9aR)-6-hydroxy-1,4,7-trimethyl-3-(2-methylprop-1-en-1-yl)-2,3,7,8,9,9a-hexahydro-1H-phenalen-5-yl]oxy}-6-methyloxane-3,4,5-triol
InChI key:LIAAPIYLHKRUNZ-BRPLUSLASA-N

分子式:C26H38O6
分子量:446.584
氢键供体数 (HBD):4
氢键受体数 (HBA):6
LogP:4.52355
SMILES:[H][C@@]12[#6]-[#6]-[#6@H](-[#6])-c3c(-[#8])c(-[#8]-[#6@@H]-4-[#8]-[#6@@H](-[#6])-[#6@@H](-[#8])-[#6@@H](-[#8])-[#6@@H]-4-[#8])c(-[#6])c(-[#6@H](-[#6]-[#6@@H]1-[#6])\[#6]=[#6](\[#6])-[#6])c23
SMILES:[H][C@@]12[#6]-[#6]-[#6@H](-[#6])-c3c(-[#8])c(-[#8]-[#6@@H]-4-[#8]-[#6@@H](-[#6])-[#6@@H](-[#8])-[#6@@H](-[#8])-[#6@@H]-4-[#8])c(-[#6])c(-[#6@H](-[#6]-[#6@@H]1-[#6])\[#6]=[#6](\[#6])-[#6])c23

Pseudopterosin E can act towards Mycobacterium tuberculosis and other pathogens.

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