BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1611
NameBRN 1516470
Pubchem ID3045989
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight411.45
Exact mass411.168188
Molecular formulaC23H25NO6
XlogP4.1
Topological Polar Surface Area74.3
H-Bond Donor0
H-Bond Acceptor7
Rotational Bond Count8
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECCOC(=O)OC1=C(C2=C(CC3C4=C2C=CC=C4CCN3C)C=C1)OC(=O)OCC
Isomeric SMILECCOC(=O)OC1=C(C2=C(C[C@@H]3C4=C2C=CC=C4CCN3C)C=C1)OC(=O)OCC
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