Record No. 1 of 2

ID2877
NameOxyacanthine
Pubchem ID73415
KEGG IDN/A
SourceBerberis
TypeNatural
FunctionCalcium channel blocker
Drug Like PropertiesNo
Molecular Weight608.72
Exact mass608.288637
Molecular formulaC37H40N2O6
XlogP5.9
Topological Polar Surface Area83.9
H-Bond Donor2
H-Bond Acceptor8
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=CC(=C(C=C7CCN6C)OC)OC3)O)O)OC
Isomeric SMILECN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=CC(=C(C=C7CCN6C)OC)OC3)O)O)OC
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Record No. 2 of 2

ID2891
NamePalmatine
Pubchem ID19009
KEGG IDC05315
SourceBerberis
TypeNatural
FunctionLeishmanicidal
Drug Like PropertiesYes
Molecular Weight352.40
Exact mass352.154883
Molecular formulaC21H22NO4+
XlogP3.7
Topological Polar Surface Area40.8
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count4
IUPAC Name2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)OC)OC
Isomeric SMILEN/A
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