Name: Arborcandin E
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219251458
Cas No:223465-80-3
常用名:Arborcandin E
IUPAC:3-[(5R,8S,11R,17R,20S)-5,8-bis(carbamoylmethyl)-17,20-bis[(1R)-1-hydroxyethyl]-2-(8-hydroxytetradecyl)-23-(3-hydroxytridecyl)-11-methyl-3,6,9,12,15,18,21,24,27,31-decaoxo-1,4,7,10,13,16,19,22,25,28-decaazacyclohentriacontan-14-yl]-2-hydroxypropanamide
IUPAC:3-[(5R,8S,11R,17R,20S)-5,8-bis(carbamoylmethyl)-17,20-bis[(1R)-1-hydroxyethyl]-2-(8-hydroxytetradecyl)-23-(3-hydroxytridecyl)-11-methyl-3,6,9,12,15,18,21,24,27,31-decaoxo-1,4,7,10,13,16,19,22,25,28-decaazacyclohentriacontan-14-yl]-2-hydroxypropanamide
InChI key:SOVWGDRIJQIPNA-JSSFSBJGSA-N

分子式:C60H107N13O18
分子量:1298.589
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]1(NC(=O)[C@]([H])(NC(=O)C(CC(O)C(N)=O)NC(=O)[C@@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)C(CCCCCCCC(O)CCCCCC)NC(=O)CCNC(=O)CNC(=O)C(CCC(O)CCCCCCCCCC)NC1=O)[C@@H](C)O)[C@@H](C)O
SMILES:[H][C@]1(NC(=O)[C@]([H])(NC(=O)C(CC(O)C(N)=O)NC(=O)[C@@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)C(CCCCCCCC(O)CCCCCC)NC(=O)CCNC(=O)CNC(=O)C(CCC(O)CCCCCCCCCC)NC1=O)[C@@H](C)O)[C@@H](C)O

Arborcandin E 是一种1,3-β-葡聚糖合酶抑制剂，具有抗真菌抗生素的特性。它对白色念珠菌 (C. albicans) 和烟曲霉 (A. fumigatus) 的IC50分别为 0.1 μg/mL 和 0.012 μg/mL，对念珠菌属的MIC范围为 0.5-2 μg/mL。

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