Name: Melianone
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214317996
Cas No:6553-27-1
常用名:Melianone
别名:NSC-302037, NSC302037, NSC 302037
IUPAC:(1S,3aS,5aR,9aR,9bR,11aS)-1-[(2R,3S,5R)-5-[(2S)-3,3-dimethyloxiran-2-yl]-2-hydroxyoxolan-3-yl]-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
IUPAC:(1S,3aS,5aR,9aR,9bR,11aS)-1-[(2R,3S,5R)-5-[(2S)-3,3-dimethyloxiran-2-yl]-2-hydroxyoxolan-3-yl]-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
InChI key:ZWXPNDUTGNVQEU-STEPOWRLSA-N

分子式:C30H46O4
分子量:470.694
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]1(OC1(C)C)[C@@]1([H])C[C@]([H])([C@H](O)O1)[C@]1([H])CC[C@]2(C)C3=CC[C@@]4([H])C(C)(C)C(=O)CC[C@]4(C)[C@@]3([H])CC[C@@]12C |t:22,@:3|
SMILES:[H][C@]1(OC1(C)C)[C@@]1([H])C[C@]([H])([C@H](O)O1)[C@]1([H])CC[C@]2(C)C3=CC[C@@]4([H])C(C)(C)C(=O)CC[C@]4(C)[C@@]3([H])CC[C@@]12C |t:22,@:3|

Melianone exhibits antiviral activity (EC50s: 3-11μM) against three important human pathogens, belonging to the Flaviviridae family, West Nile virus, Dengue virus, and Yellow Fever virus.

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