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ScientificNameLabel
sinactine
PHCD compound ID : 3407
Chemical Names :
sinactine , (–)-sinactine
Molecular Formula : C20H21N1O4
Molecular Weight : 339.147058
More Details :
Names & Synonyms:
Smiles: COc1cc2c(cc1OC)CCN1[C@H]2Cc2ccc3c(c2C1)OCO3
InChi : InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1
InChi Key : InChIKey=UWEHVAXMSWXKRW-INIZCTEOSA-N
PubChem ID : 5321317
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 8.653458
Hydrogen bond donor count : 0 Electric dipole moment : 1.609
XLogP : 1.573 VDW volume : 301.232773
Molecular weight : 339.147058 HOMO-LUMO gap : 8.739000
Herb list :
Refrences & Litretures:
  
472.      Journal:'Phytochem. Anal'      Year:'2002'      Volume:'13'      Page:'363'      DOI:'10.1002/pca.669'      Title:'Direct Determination of Alkaloid Contents in Fumaria Species by GC-MS'
473.      Journal:'Magn. Reson. Chem'      Year:'2004'      Volume:'42'      Page:'882'      DOI:'10.1002/mrc.1417'      Title:'1Hand 13C NMR signal assignment of benzylisoquinoline alkaloids from Fumaria of?cinalis L. (Papaveraceae)'
474.      Journal:'Journal of Chromatography A'      Year:'2006'      Volume:'1112'      Page:'331'      DOI:'10.1016/j.chroma.2005.12.008'      Title:'Quanti?cation of Fumaria of?cinalis isoquinoline alkaloids by nonaqueous capillary electrophoresis–electrospray ion trap mass spectrometry'
479.      Journal:'J. Yeast Fungal Res'      Year:'2013'      Volume:'4'      Page:'21'      DOI:'10.5897/JYFR2013.0108'      Title:'In vitro antifungal effects of Fumaria vaillantii Loisel. essential oil on Aspergillus flavus'
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