Name: Tinospinoside C
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT213886978
Cas No:1383977-51-2
常用名:Tinospinoside C
IUPAC:methyl (2S,4aR,6aR,9R,10aR,10bS)-2-(furan-3-yl)-4a-hydroxy-6a,10b-dimethyl-4-oxo-9-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,4H,4aH,5H,6H,6aH,9H,10H,10aH,10bH-naphtho[2,1-c]pyran-7-carboxylate
IUPAC:methyl (2S,4aR,6aR,9R,10aR,10bS)-2-(furan-3-yl)-4a-hydroxy-6a,10b-dimethyl-4-oxo-9-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,4H,4aH,5H,6H,6aH,9H,10H,10aH,10bH-naphtho[2,1-c]pyran-7-carboxylate
InChI key:SFZVAPHHIUDDEI-BAXBFVPBSA-N

分子式:C27H36O12
分子量:552.573
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COC(=O)C1=C[C@@H](C[C@@H]2[C@@]1(C)CC[C@]1(O)C(=O)O[C@@H](C[C@@]21C)c1ccoc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |t:4|
SMILES:COC(=O)C1=C[C@@H](C[C@@H]2[C@@]1(C)CC[C@]1(O)C(=O)O[C@@H](C[C@@]21C)c1ccoc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |t:4|

Tinospinoside C shows inhibitory activities of NO production with the IC(50) value of 218 uM.

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