Name: Cucurbitacin S
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212524308
Cas No:60137-06-6
常用名:Cucurbitacin S
别名:葫芦素 S
IUPAC:(1S,2S,4R,6S,9S,10R,11R,14R,15R)-17-hydroxy-6-(2-hydroxypropan-2-yl)-2,9,11,14,19,19-hexamethyl-5-oxapentacyclo[12.8.0.0^{2,11}.0^{4,10}.0^{15,20}]docosa-16,20-diene-8,13,18-trione
IUPAC:(1S,2S,4R,6S,9S,10R,11R,14R,15R)-17-hydroxy-6-(2-hydroxypropan-2-yl)-2,9,11,14,19,19-hexamethyl-5-oxapentacyclo[12.8.0.0^{2,11}.0^{4,10}.0^{15,20}]docosa-16,20-diene-8,13,18-trione
InChI key:MBYLRWSUZLFUTO-PQNVQGKDSA-N

分子式:C30H42O6
分子量:498.66
氢键供体数 (HBD):2
氢键受体数 (HBA):6
LogP:4.071
SMILES:[H][C@@]12C=C(O)C(=O)C(C)(C)C1=CC[C@@]1([H])[C@]3(C)C[C@H]4O[C@@H](CC(=O)[C@@H](C)[C@@H]4[C@@]3(C)CC(=O)[C@@]21C)C(C)(C)O |c:11,t:2|
SMILES:[H][C@@]12C=C(O)C(=O)C(C)(C)C1=CC[C@@]1([H])[C@]3(C)C[C@H]4O[C@@H](CC(=O)[C@@H](C)[C@@H]4[C@@]3(C)CC(=O)[C@@]21C)C(C)(C)O |c:11,t:2|

Cucurbitacins from Wilbrandia ebracteata have analgesic effects. Cucurbitacin S has anticancer and antiinflammatory activities.

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