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ScientificNameLabel
Berberine
PHCD compound ID : 2957
Chemical Names :
Berberine
Molecular Formula : C20H18N1O4
Molecular Weight : 336.123583
More Details :
Names & Synonyms:
Smiles: COc1c(OC)ccc2c1c[n+]1CCc3c(c1c2)cc1c(c3)OCO1
InChi : InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1
InChi Key : InChIKey=YBHILYKTIRIUTE-UHFFFAOYSA-N
PubChem ID : 2353
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 11.333452
Hydrogen bond donor count : 0 Electric dipole moment : 4.404
XLogP : 2.473 VDW volume : 286.378084
Molecular weight : 336.123583 HOMO-LUMO gap : 6.549000
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'
819.      Journal:'Chemistry and Ecology'      Year:'2018'      Volume:'34'      Page:'582'      DOI:'10.1080/02757540.2018.1462345'      Title:'Chemical composition and antifungal activity of Chelidonium majus extracts – antagonistic action of chelerythrine and sanguinarine against Botrytis cinerea'
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