Name: Mangostanol
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT213885485
Cas No:184587-72-2
常用名:Mangostanol
IUPAC:3,5,9-trihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-2,3,4,6-tetrahydro-1,11-dioxatetracen-6-one
IUPAC:3,5,9-trihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-2,3,4,6-tetrahydro-1,11-dioxatetracen-6-one
InChI key:KCMPFWGUVNEDHW-UHFFFAOYSA-N

分子式:C24H26O7
分子量:426.465
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[#6]-[#8]-c1c(-[#8])cc2oc3cc4-[#8]C([#6])([#6])[#6](-[#8])-[#6]-c4c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6]
SMILES:[#6]-[#8]-c1c(-[#8])cc2oc3cc4-[#8]C([#6])([#6])[#6](-[#8])-[#6]-c4c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6]

Mangostanol is an acetylcholinesterase (AChE) selective inhibitor.Mangostanol has anti-cancer activity, it shows significant activities against the CEM-SS cell line, with IC50 values of 9.6 microg/ml.

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