Name: IKD-8344
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214320756
Cas No:129046-69-1
常用名:IKD-8344
IUPAC:(1R,2R,5S,8S,9S,12R,14S,17R,18R,21S,24S,25S,28R,30S)-2,9,18,25-tetramethyl-12,28-bis[(1S)-1-[(2S,5R)-5-methyloxolan-2-yl]ethyl]-11,27,33,34,35,36-hexaoxapentacyclo[28.2.1.1^{5,8}.1^{14,17}.1^{21,24}]hexatriacontane-3,10,19,26-tetrone
IUPAC:(1R,2R,5S,8S,9S,12R,14S,17R,18R,21S,24S,25S,28R,30S)-2,9,18,25-tetramethyl-12,28-bis[(1S)-1-[(2S,5R)-5-methyloxolan-2-yl]ethyl]-11,27,33,34,35,36-hexaoxapentacyclo[28.2.1.1^{5,8}.1^{14,17}.1^{21,24}]hexatriacontane-3,10,19,26-tetrone
InChI key:MXPYTLCDIMCGEQ-XXWADCRTSA-N

分子式:C48H76O12
分子量:845.124
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CC[C@]([H])(O1)[C@H](C)C(=O)O[C@]([H])(C[C@]1([H])CC[C@@]([H])(O1)[C@@H](C)C(=O)C[C@]1([H])CC[C@]([H])(O1)[C@H](C)C(=O)O[C@]([H])(C[C@]1([H])CC[C@@]([H])(O1)[C@@H](C)C(=O)C2)[C@@H](C)[C@]1([H])CC[C@@H](C)O1)[C@@H](C)[C@]1([H])CC[C@@H](C)O1
SMILES:[H][C@@]12CC[C@]([H])(O1)[C@H](C)C(=O)O[C@]([H])(C[C@]1([H])CC[C@@]([H])(O1)[C@@H](C)C(=O)C[C@]1([H])CC[C@]([H])(O1)[C@H](C)C(=O)O[C@]([H])(C[C@]1([H])CC[C@@]([H])(O1)[C@@H](C)C(=O)C2)[C@@H](C)[C@]1([H])CC[C@@H](C)O1)[C@@H](C)[C@]1([H])CC[C@@H](C)O1

IKD-8344 is a macrocyclic dilactone originally isolated from an actinomycete species and has diverse biological activities, including anticancer, antimicrobial, and anthelmintic properties.1,2,3 It is cytotoxic to L5178Y murine leukemia cells (IC50 = 0.54 ng/ml).1 IKD-8344 inhibits growth of the mycelial form of C. albicans (MIC = 6.25 μg/ml) and potentiates the activity of polymyxin B against the multidrug-resistant pathogenic bacterium B. cenocepacia.2,3 It is active against T. spiralis in vitro and in vivo.1

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