Name: Hispidanin B
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT213885698
Cas No:1616080-84-2
常用名:Hispidanin B
IUPAC:(4aR,5S,8aS)-5-{[(1S,2S,4'S,5'aS,9'aS)-4'-(acetyloxy)-3,6',6',9'a-tetramethyl-2'-oxo-4',5',5'a,6',7',8',9',9'a-octahydro-2'H-spiro[cyclohexane-1,3'-phenanthro[2,1-b]fura]-3-en-2-yl]methyl}-1,1-dimethyl-6-methylidene-decahydronaphthalene-4a-carboxylic acid
IUPAC:(4aR,5S,8aS)-5-{[(1S,2S,4'S,5'aS,9'aS)-4'-(acetyloxy)-3,6',6',9'a-tetramethyl-2'-oxo-4',5',5'a,6',7',8',9',9'a-octahydro-2'H-spiro[cyclohexane-1,3'-phenanthro[2,1-b]fura]-3-en-2-yl]methyl}-1,1-dimethyl-6-methylidene-decahydronaphthalene-4a-carboxylic acid
InChI key:OXWHIFHQUHPEDR-MFWVAWNWSA-N

分子式:C42H56O6
分子量:656.904
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(=O)O[C@H]1C[C@H]2C(C)(C)CCC[C@]2(C)c2ccc3OC(=O)[C@]4(CCC=C(C)[C@@H]4C[C@H]4C(=C)CC[C@H]5C(C)(C)CCC[C@]45C(O)=O)c3c12 |t:26|
SMILES:CC(=O)O[C@H]1C[C@H]2C(C)(C)CCC[C@]2(C)c2ccc3OC(=O)[C@]4(CCC=C(C)[C@@H]4C[C@H]4C(=C)CC[C@H]5C(C)(C)CCC[C@]45C(O)=O)c3c12 |t:26|

Hispidanin B shows significant cytotoxicities against tumor cell lines SGC7901, SMMC7721, and K562, with IC50 values of 10.7, 9.8, and 13.7 uM, respectively.

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