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ScientificNameLabel
Aromoline
PHCD compound ID : 2955
Chemical Names :
Aromoline
Molecular Formula : C36H38N2O6
Molecular Weight : 594.272987
More Details :
Names & Synonyms:
Smiles: COc1cc2CCN([C@H]3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(Oc4cc(C3)ccc4O)cc2)C)cc(c1O)OC)C
InChi : InChI=1S/C36H38N2O6/c1-37-13-11-23-18-31(41-3)32-20-26(23)27(37)16-22-7-10-29(39)30(17-22)43-25-8-5-21(6-9-25)15-28-34-24(12-14-38(28)2)19-33(42-4)35(40)36(34)44-32/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3/t27-,28+/m1/s1
InChi Key : InChIKey=LFFQVHXIFJLJSP-IZLXSDGUSA-N
PubChem ID : 362574
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 8 Ionization potential : 8.452687
Hydrogen bond donor count : 2 Electric dipole moment : 3.401
XLogP : 2.622 VDW volume : 544.214071
Molecular weight : 594.272987 HOMO-LUMO gap : 8.398000
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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