Name: Dehydrobruceine A
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214315822
Cas No:73435-47-9
常用名:Dehydrobruceine A
IUPAC:methyl (1R,2S,3R,6R,13S,14R,15R,16S,17S)-11,15,16-trihydroxy-9,13-dimethyl-3-[(3-methylbutanoyl)oxy]-4,10-dioxo-5,18-dioxapentacyclo[12.5.0.0^{1,6}.0^{2,17}.0^{8,13}]nonadeca-8,11-diene-17-carboxylate
IUPAC:methyl (1R,2S,3R,6R,13S,14R,15R,16S,17S)-11,15,16-trihydroxy-9,13-dimethyl-3-[(3-methylbutanoyl)oxy]-4,10-dioxo-5,18-dioxapentacyclo[12.5.0.0^{1,6}.0^{2,17}.0^{8,13}]nonadeca-8,11-diene-17-carboxylate
InChI key:RHISAUJYNIABND-IRPUDBTHSA-N

分子式:C26H32O11
分子量:520.531
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12[C@@H](OC(=O)CC(C)C)C(=O)O[C@]3([H])CC4=C(C)C(=O)C(O)=C[C@]4(C)[C@@]4([H])[C@@H](O)[C@H](O)[C@]1(OC[C@@]234)C(=O)OC |c:16,22|
SMILES:[H][C@]12[C@@H](OC(=O)CC(C)C)C(=O)O[C@]3([H])CC4=C(C)C(=O)C(O)=C[C@]4(C)[C@@]4([H])[C@@H](O)[C@H](O)[C@]1(OC[C@@]234)C(=O)OC |c:16,22|

Dehydrobruceine A shows strong antitrypanosomal activities with IC(50) values in the range of 2.9-17.8nM.

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