Name: 17alpha-Neriifolin
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT213886097
Cas No:7044-31-7
常用名:17alpha-Neriifolin
IUPAC:4-[(1S,3aS,3bR,5aR,7S,9aS,9bS,11aR)-7-{[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-3a-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-one
IUPAC:4-[(1S,3aS,3bR,5aR,7S,9aS,9bS,11aR)-7-{[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-3a-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-one
InChI key:VPUNMTHWNSJUOG-SIMHPCIKSA-N

分子式:C30H46O8
分子量:534.69
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CO[C@@H]1[C@@H](O)[C@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](CC[C@]43O)C3=CC(=O)OC3)C2)[C@H]1O |t:32|
SMILES:CO[C@@H]1[C@@H](O)[C@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](CC[C@]43O)C3=CC(=O)OC3)C2)[C@H]1O |t:32|

17alpha-Neriifolin and 17alpha-Deacetyltanghinin have little anti-proliferative activity, indicating that the 17beta configuration is critical for the anti-proliferative activity of these compounds.

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