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ScientificNameLabel
Yatronizine
PHCD compound ID : 2964
Chemical Names :
Yatronizine
Molecular Formula : C20H20I1N1O4
Molecular Weight : 338.139233
More Details :
Names & Synonyms: 2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol;iodide , 2,9,10-trimethoxy-5,6-dihydroisoquinolin[2,1-b]isoquinolin-7-ium-3-ol;iodide
Smiles: COc1cc2c(cc1O)CC[n+]1c2cc2ccc(c(c2c1)OC)OC.[I-]
InChi : InChI=1S/C20H19NO4.HI/c1-23-18-5-4-12-8-16-14-10-19(24-2)17(22)9-13(14)6-7-21(16)11-15(12)20(18)25-3;/h4-5,8-11H,6-7H2,1-3H3;1H
InChi Key : InChIKey=OZWLOJDPSVFYPW-UHFFFAOYSA-N
PubChem ID : 5459338
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 6.010674
Hydrogen bond donor count : 1 Electric dipole moment : 39.984
XLogP : 2.225 VDW volume : 298.734543
Molecular weight : 338.139233 HOMO-LUMO gap : 2.804000
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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