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ScientificNameLabel
Columbamine
PHCD compound ID : 2959
Chemical Names :
Columbamine
Molecular Formula : C20H20N1O4
Molecular Weight : 338.139233
More Details :
Names & Synonyms: 3,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2-ol , 3,9,10-trimethoxy-5,6-dihydroisoquinolin[2,1-b]isoquinolin-7-ium-2-ol
Smiles: COc1cc2CC[n+]3c(c2cc1O)cc1c(c3)c(OC)c(cc1)OC
InChi : InChI=1S/C20H19NO4/c1-23-18-5-4-12-8-16-14-10-17(22)19(24-2)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,8-11H,6-7H2,1-3H3/p+1
InChi Key : InChIKey=YYFOFDHQVIODOQ-UHFFFAOYSA-O
PubChem ID : 72310
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 11.232452
Hydrogen bond donor count : 1 Electric dipole moment : 4.660
XLogP : 2.225 VDW volume : 298.734543
Molecular weight : 338.139233 HOMO-LUMO gap : 6.512000
Herb list :
Refrences & Litretures:
  
375.      Journal:'BMC Complementary and Alternative Medicine'      Year:'2013'      Volume:'13'      Page:'218'      DOI:'10.1186/1472-6882-13-218'      Title:'In vitro biological assessment of berberis vulgaris and its active constituent, berberine: antioxidants, anti-acetylcholinesterase, anti-diabetic and anticancer effects'
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