Name: Paraherquamide E
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214320855
Cas No:125600-53-5
常用名:Paraherquamide E
IUPAC:(1'R,3'S,7'S,8R,12'S)-4,4,4',4',12',14'-hexamethyl-9,10-dihydro-4H-9',14'-diazaspiro[[1,4]dioxepino[2,3-g]indole-8,5'-tetracyclo[5.5.2.0^{1,9}.0^{3,7}]tetradecane]-9,13'-dione
IUPAC:(1'R,3'S,7'S,8R,12'S)-4,4,4',4',12',14'-hexamethyl-9,10-dihydro-4H-9',14'-diazaspiro[[1,4]dioxepino[2,3-g]indole-8,5'-tetracyclo[5.5.2.0^{1,9}.0^{3,7}]tetradecane]-9,13'-dione
InChI key:XNXXZRQPTAQILV-PYGUQFFJSA-N

分子式:C28H35N3O4
分子量:477.605
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12C[C@]34[C@@H](C)CCN3C[C@@]1(C[C@@]1(C(=O)Nc3c1ccc1OC(C)(C)C=COc31)C2(C)C)N(C)C4=O |c:28,TLB:29:1:8.9:34.32|
SMILES:[H][C@@]12C[C@]34[C@@H](C)CCN3C[C@@]1(C[C@@]1(C(=O)Nc3c1ccc1OC(C)(C)C=COc31)C2(C)C)N(C)C4=O |c:28,TLB:29:1:8.9:34.32|

Paraherquamide E is a fungal metabolite originally isolated from P. charlesii with anthelmintic and insecticidal activities. It is lethal to C. elegans (LD50 = 6 μg/ml). Paraherquamide E is also lethal to O. fasciatus (LD50 = 0.089 μg/nymph). Oral administration of paraherquamide E (0.5-4 mg/kg) reduces T. colubriformis fecal egg count in gerbils.

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