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荜茇宁 | 5950-12-9

荜茇宁结构式图片|5950-12-9结构式图片
中文名称:荜茇宁
英文名称:Piperlonguminine
CAS No.:5950-12-9 分子式:C16H19NO3 分子量:273.32696
如需查看该化合物的详细结构式,mol文件,smile, InChi 请点击:荜茇宁结构式
价格行情:荜茇宁价格
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荜茇宁的其他展现形式
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简介
Piperlonguminine 是一种从 Piper 中分离出的生物碱酰胺。Piperlonguminine 具有多种生物学特性,包括抗炎,抗肿瘤,神经保护,抗血小板,抗黑素生成,抗真菌和抗菌活性。
名称和标识符
InChIKey WHAAPCGHVWVUEX-GGWOSOGESA-N
Inchi InChI=1S/C16H19NO3/c1-12(2)10-17-16(18)6-4-3-5-13-7-8-14-15(9-13)20-11-19-14/h3-9,12H,10-11H2,1-2H3,(H,17,18)/b5-3+,6-4+
SMILES CC(CNC(/C=C/C=C/C1=CC2=C(OCO2)C=C1)=O)C
别名信息
- 中文别名 -
荜茇宁
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- 英文别名 -
2,4-Pentadienamide,5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-, (2E,4E)- 1-ETHYL-2-[4-(4-DIMETHYLAMINOPHENYL)-1,3-BUTADIEN-1-YL]PYRIDINIUM PERCHLORATE Mexedrone (2E,4E)-5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-2,4-pentadienamide (2E,4E)-5-(3,4-methylenedioxyphenyl)-2,4-pentadienoic acid N-isobutylamide (2E,4E)-5-(benzo[d][1,3]dioxol-5-yl)-N-isobutylpenta-2,4-dienamide 5-(3',4'-methylenedioxy-phenyl)-2E,4E-pentadienoic acid isobutyl amide 5-benzo[1,3]dioxol-5-yl-N-(2-methylpropyl)penta-2,4-dienamide piperlongumine Piperlonguminine
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物化性质
 实验特性
LogP 3.14780
PSA 47.56
熔点 167-169°C
溶解度 17.36 mg/L @ 25 °C (est)
颜色与性状 Powder
 计算特性
精确分子量 273.13657
氢键供体数量 1
氢键受体数量 4
可旋转化学键数量 6
同位素质量 273.13649347 g/mol
重原子数量 20
复杂度 376
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 0
确定化学键立构中心数量 2
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 3.8
拓扑分子极性表面积 47.6Ų
分子量 273.33
相关文献

1. Identification and characterization of stress degradation products of piperine and profiling of a black pepper (Piper nigrum L.) extract using LC/Q-TOF-dual ESI-MS
Subhash Chandra Bose. Kotte,P. K. Dubey,P. M. Murali Anal. Methods 2014 6 8022

2. Extracts from the fruits of Piper guineense schum. and thonn
Joseph I. Okogun,Donald E. U. Ekong J. Chem. Soc. Perkin Trans. 1 1974 2195

3. Fragmentation pattern of amides by EI and HRESI: study of protonation sites using DFT-3LYP data
H. H. Fokoue,J. V. Marques,M. V. Correia,L. F. Yamaguchi,X. Qu,J. Aires-de-Sousa,M. T. Scotti,N. P. Lopes,M. J. Kato RSC Adv. 2018 8 21407

4. A selective and sensitive UFLC-MS/MS method for the simultaneous determination of five alkaloids from Piper longum L. and its application in the pharmacokinetic study of 6-OHDA-induced Parkinson's disease rats
Rongrong Xu,Wenwen Zhao,Lan Yu,Qijun Chen,Xiaolu Hu,Yinying Ba,Xiaoqing Chen,Xing Wang,Xia Wu RSC Adv. 2019 9 37082

5. Metabolic profiling of Piper species by direct analysis using real time mass spectrometry combined with principal component analysis
Preeti Chandra,Vikas Bajpai,Mukesh Srivastva,K. B. Ramesh Kumar,Brijesh Kumar Anal. Methods 2014 6 4234

6. Metabolic profiling of Piper species by direct analysis using real time mass spectrometry combined with principal component analysis
Preeti Chandra,Vikas Bajpai,Mukesh Srivastva,K. B. Ramesh Kumar,Brijesh Kumar Anal. Methods 2014 6 4234

7. Amides of vegetable origin. Part XII. A new series of alka-2,4-dienoic tyramine-amides from Anacyclus pyrethrum D.C. (Compositae)
R. S. Burden,L. Crombie J. Chem. Soc. C 1969 2477

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