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ScientificNameLabel
Berbamine
PHCD compound ID : 2956
Chemical Names :
Berbamine
Molecular Formula : C37H40N2O6
Molecular Weight : 608.288637
More Details :
Names & Synonyms:
Smiles: COc1c(OC)cc2c3c1Oc1cc4c(cc1OC)CCN([C@H]4Cc1ccc(Oc4cc(C[C@H]3N(CC2)C)ccc4O)cc1)C
InChi : InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-31-18-23(8-11-30(31)40)17-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m0/s1
InChi Key : InChIKey=DFOCUWZXJBAUSQ-URLMMPGGSA-N
PubChem ID : 275182
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 8 Ionization potential : 8.285564
Hydrogen bond donor count : 1 Electric dipole moment : 6.237
XLogP : 2.943 VDW volume : 561.510055
Molecular weight : 608.288637 HOMO-LUMO gap : 8.403000
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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