Name: Terpendole C
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214321317
Cas No:156967-65-6
常用名:Terpendole C
IUPAC:(1R,2S,13S,16S,17S,19R,20R,22S,25S,27S)-1,2,24,24-tetramethyl-22-(2-methylprop-1-en-1-yl)-18,21,23,26-tetraoxa-4-azaoctacyclo[14.13.0.0^{2,13}.0^{3,11}.0^{5,10}.0^{17,19}.0^{17,27}.0^{20,25}]nonacosa-3(11),5,7,9-tetraen-16-ol
IUPAC:(1R,2S,13S,16S,17S,19R,20R,22S,25S,27S)-1,2,24,24-tetramethyl-22-(2-methylprop-1-en-1-yl)-18,21,23,26-tetraoxa-4-azaoctacyclo[14.13.0.0^{2,13}.0^{3,11}.0^{5,10}.0^{17,19}.0^{17,27}.0^{20,25}]nonacosa-3(11),5,7,9-tetraen-16-ol
InChI key:WUOATFFODCBZBE-SCGIUCFSSA-N

分子式:C32H41NO5
分子量:519.682
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
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SMILES:[H][C@]12O[C@@]11[C@]([H])(CC[C@]3(C)[C@@]4(C)c5[nH]c6ccccc6c5C[C@]4([H])CC[C@@]13O)O[C@@]1([H])[C@@]2([H])O[C@@H](OC1(C)C)C=C(C)C |wU:8.9,22.26,31.38,1.0,wD:26.32,3.2,10.11,4.5,34.46,29.35,(2.12,.37,;2.78,1.76,;4.17,1.1,;4.05,2.63,;3.93,4.17,;3.8,5.7,;5.19,5.04,;6.58,4.38,;6.71,2.85,;7.98,3.72,;8.1,2.19,;8.61,3.64,;9.52,2.78,;10.32,4.1,;11.82,3.74,;13.09,4.61,;14.48,3.95,;14.6,2.42,;13.34,1.55,;11.95,2.21,;10.52,1.61,;9.72,.3,;8.22,.65,;8.51,-.86,;6.96,-.22,;5.57,.44,;5.44,1.97,;4.93,.52,;2.53,4.83,;1.27,3.95,;1.14,5.49,;1.39,2.42,;1.52,.88,;.12,1.55,;-1.27,2.21,;-1.39,3.74,;-.12,4.61,;-1.21,5.71,;.77,5.87,;-2.53,1.33,;-3.93,1.99,;-5.19,1.12,;-4.05,3.53,)|

Terpendole C is an indole diterpene alkaloid fungal metabolite originally isolated from A. yamanashiensis and an inhibitor of acyl-coenzyme A:cholesterol acyltransferase (ACAT; IC50 = 2.1 μM in rat liver microsomes). It also inhibits ACAT in J774 macrophages (IC50 = 0.46 μM) without affecting cell growth.

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