BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1495
NameBerbine
Pubchem ID164543
KEGG IDC05204
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight235.32
Exact mass235.1361
Molecular formulaC17H17N
XlogP3.4
Topological Polar Surface Area3.2
H-Bond Donor0
H-Bond Acceptor1
Rotational Bond Count0
IUPAC Name(13aS)-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC1CN2CC3=CC=CC=C3CC2C4=CC=CC=C41
Isomeric SMILEC1CN2CC3=CC=CC=C3C[C@H]2C4=CC=CC=C41
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