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 |
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 |
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 |
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
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Extracts from the fruits of Piper guineense schum. and thonn
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Fragmentation pattern of amides by EI and HRESI: study of protonation sites using DFT-3LYP data
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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
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Metabolic profiling of Piper species by direct analysis using real time mass spectrometry combined with principal component analysis
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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
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Amides of vegetable origin. Part XII. A new series of alka-2,4-dienoic tyramine-amides from Anacyclus pyrethrum D.C. (Compositae)
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