Name: Milbemycin A4
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT221059537
Cas No:51596-11-3
常用名:Milbemycin A4
别名:米尔贝霉素 A4, Milbemycin α3, Antibiotic B 41A4
别名:米尔贝霉素 A4, Milbemycin α3, Antibiotic B 41A4
IUPAC:(1'R,2R,4'S,5S,6R,8'R,10'Z,13'R,14'Z,16'Z,20'R,21'R,24'S)-6-ethyl-21',24'-dihydroxy-5,11',13',22'-tetramethyl-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1^{4,8}.0^{20,24}]pentacosane]-10',14',16',22'-tetraen-2'-one
IUPAC:(1'R,2R,4'S,5S,6R,8'R,10'Z,13'R,14'Z,16'Z,20'R,21'R,24'S)-6-ethyl-21',24'-dihydroxy-5,11',13',22'-tetramethyl-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1^{4,8}.0^{20,24}]pentacosane]-10',14',16',22'-tetraen-2'-one
InChI key:InChIKey=VOZIAWLUULBIPN-PBVVPGGVSA-N

分子式:C32H46O7
分子量:542.713
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12OC\C3=C\C=C/[C@H](C)C\C(C)=C/C[C@]4([H])C[C@@]([H])(C[C@]5(CC[C@H](C)[C@@H](CC)O5)O4)OC(=O)[C@]([H])(C=C(C)[C@H]1O)[C@@]23O
SMILES:[H][C@@]12OC\C3=C\C=C/[C@H](C)C\C(C)=C/C[C@]4([H])C[C@@]([H])(C[C@]5(CC[C@H](C)[C@@H](CC)O5)O4)OC(=O)[C@]([H])(C=C(C)[C@H]1O)[C@@]23O

Milbemycin A4是一种大环内酯类抗生素，属于Milbemycin类化合物，具有杀虫和杀螨活性。Milbemycin A4可抑制P-glycoprotein(P-糖蛋白)活性，并在体外模型中逆转肿瘤细胞的多药耐药性。

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