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ScientificNameLabel
Oxycanthine
PHCD compound ID : 2961
Chemical Names :
Oxycanthine
Molecular Formula : C37H40N2O6
Molecular Weight : 608.288637
More Details :
Names & Synonyms:
Smiles: COc1cc2CCN([C@H]3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(Oc4cc(C3)ccc4O)cc2)C)cc(c1OC)OC)C
InChi : InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)17-23-8-11-30(40)31(18-23)44-26-9-6-22(7-10-26)16-29-35-25(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+/m1/s1
InChi Key : InChIKey=HGNHIFJNOKGSKI-WDYNHAJCSA-N
PubChem ID : 442333
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 8 Ionization potential : 8.413577
Hydrogen bond donor count : 1 Electric dipole moment : 3.505
XLogP : 2.943 VDW volume : 561.510055
Molecular weight : 608.288637 HOMO-LUMO gap : 8.374000
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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