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ScientificNameLabel
corydamine
PHCD compound ID : 3414
Chemical Names :
corydamine
Molecular Formula : C20H18N2O4
Molecular Weight : 350.126657
More Details :
Names & Synonyms: 2-[6-([1,3]dioxolo[4,5-h]isoquinolin-7-yl)-1,3-benzodioxol-5-yl]-N-methyl-ethanamine , 2-[6-([1,3]dioxolo[4,5-h]isoquinolin-7-yl)-1,3-benzodioxol-5-yl]-N-methylethanamine , 2-[6-([1,3]dioxol[4,5-h]isoquinolin-7-yl)-1,3-benzodioxol-5-yl]ethyl-methyl-amine
Smiles: CNCCc1cc2OCOc2cc1c1ncc2c(c1)ccc1c2OCO1
InChi : InChI=1S/C20H18N2O4/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16-6-12-2-3-17-20(26-11-23-17)15(12)9-22-16/h2-3,6-9,21H,4-5,10-11H2,1H3
InChi Key : InChIKey=VWHAIQHZMVRBJN-UHFFFAOYSA-N
PubChem ID : 5316094
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 8.605358
Hydrogen bond donor count : 1 Electric dipole moment : 1.808
XLogP : 1.266 VDW volume : 296.056615
Molecular weight : 350.126657 HOMO-LUMO gap : 7.533000
Herb list :
Refrences & Litretures:
  
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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