Name: Dihydroergostin
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212715800
Cas No:3609-19-6
常用名:Dihydroergostin
别名:DE-145, DE145, DE 145
IUPAC:(2R,4R,7R)-N-[(1S,2S,4R,7S)-7-benzyl-4-ethyl-2-hydroxy-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0^{2,6}]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraene-4-carboxamide
IUPAC:(2R,4R,7R)-N-[(1S,2S,4R,7S)-7-benzyl-4-ethyl-2-hydroxy-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0^{2,6}]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraene-4-carboxamide
InChI key:DFWHWFLWRXBPGX-UHFAATNVSA-N

分子式:C34H39N5O5
分子量:597.716
氢键供体数 (HBD):3
氢键受体数 (HBA):6
LogP:3.3484979
SMILES:[H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)N1C(=O)[C@](CC)(NC(=O)[C@H]3CN(C)[C@]4([H])Cc5c[nH]c6cccc(c56)[C@@]4([H])C3)O[C@@]21O
SMILES:[H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)N1C(=O)[C@](CC)(NC(=O)[C@H]3CN(C)[C@]4([H])Cc5c[nH]c6cccc(c56)[C@@]4([H])C3)O[C@@]21O

Dihydroergostin is a ergot alkaloid that exhibits potential neuroprotective properties.

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