比较的植物雌激素trans-resveratrol (3、4 ', 5-trihydroxystilbene) NMR结构从x射线衍射和解决方案。
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Commodari F, Khiat,易卜拉欣,Brizius AR, Kalkstein N
比较的植物雌激素trans-resveratrol (3、4 ', 5-trihydroxystilbene) NMR结构从x射线衍射和解决方案。
)化学因素。2005年7月,43 (7):567 - 72。
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15809979 (在PubMed]
- 文摘
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trans-3 NMR-derived解决方案结构,4”,5-trihydroxystilbene(白藜芦醇)与两个最近的文学晶体x射线结构相比,白藜芦醇在复杂与人类转体基因(TTR-RES)从1德国焊接学会。pdb和白藜芦醇查耳酮合酶(CHS-RES)从1 cgz.pdb。1 h和13 c NMR谱的白藜芦醇在DMSO-d6收购。作业DQF-COSY的分析,得出了TOCSY,部门,HMQC / HSQC, HMBC和核磁共振光谱不足。过去的1 h和13 c NMR文学作业纠正。二面角2-1-1 ' 2 '提供了一个显示的相对空间定位两个酚环。值为1.62,54.10和12.6 + / - 1.1度为1德国焊接学会被发现。pdb, 1 cgz。分别pdb和NMR白藜芦醇结构。1德国。pdb白藜芦醇的结构是“平”两个酚环在同一个平面上。1 cgz。pdb structure has these two rings almost orthogonal to each other, and the NMR structure has these two rings much closer to being along the same plane. The angles 1-alpha--alpha' and 1'-alpha'--alpha are along the same trace and of similar magnitude for the 1CGZ.pdb and NMR resveratrol structures. For the 1DVS.pdb resveratrol structure, these angles are about 7-10 degrees greater, with alpha and alpha' being 180 degrees out-of-phase from the other two structures. The alpha rings did not overlap, with the NMR result representing a 'median model' of the two x-ray structures.