Name: Oligomycin E
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214321128
Cas No:110231-34-0
常用名:Oligomycin E
IUPAC:(1R,4E,5'S,6S,6'S,7R,8S,10R,11R,12S,14R,15S,16R,18E,20Z,22R,25S,27S,28R,29R)-22-ethyl-7,11,14,15,28-pentahydroxy-6'-[(2R)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethyl-2,26-dioxaspiro[bicyclo[23.3.1]nonacosane-27,2'-oxane]-4,18,20-triene-3,3',9,13-tetrone
IUPAC:(1R,4E,5'S,6S,6'S,7R,8S,10R,11R,12S,14R,15S,16R,18E,20Z,22R,25S,27S,28R,29R)-22-ethyl-7,11,14,15,28-pentahydroxy-6'-[(2R)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethyl-2,26-dioxaspiro[bicyclo[23.3.1]nonacosane-27,2'-oxane]-4,18,20-triene-3,3',9,13-tetrone
InChI key:UWEZMQMMPORRMH-WWXIQEFFSA-N

分子式:C45H72O13
分子量:821.058
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12CC[C@@H](CC)\C=C/C=C/C[C@@H](C)[C@H](O)[C@@](C)(O)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)\C=C\C(=O)O[C@]([H])([C@@H]1C)[C@@](C)(O)[C@]1(O[C@@H](C[C@@H](C)O)[C@@H](C)CC1=O)O2 |c:7,t:9,35|
SMILES:[H][C@]12CC[C@@H](CC)\C=C/C=C/C[C@@H](C)[C@H](O)[C@@](C)(O)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)\C=C\C(=O)O[C@]([H])([C@@H]1C)[C@@](C)(O)[C@]1(O[C@@H](C[C@@H](C)O)[C@@H](C)CC1=O)O2 |c:7,t:9,35|

Oligomycin E is a minor metabolite of the oligomycin complex produced by several species of Streptomyces. It exhibits relatively weak antifungal activity compared to other oligomycins, yet is active against Gram-positive bacteria and demonstrates strong antitumor activity against HeLa cells (IC50 = 14 ng/ml).

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