BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1268
NameBenzyloxy-2,3-dimethoxy berbine
Pubchem ID564132
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight401.50
Exact mass401.199094
Molecular formulaC26H27NO3
XlogP4.8
Topological Polar Surface Area30.9
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count5
IUPAC Name2,3-dimethoxy-11-(phenylmethoxy)-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C=C2C3CC4=C(CN3CCC2=C1)C=CC(=C4)OCC5=CC=CC=C5)OC
Isomeric SMILEN/A
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