BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2096
NameErben
Pubchem ID11954335
KEGG IDD03293
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight786.80
Exact mass786.20946
Molecular formulaC40H38N2O13S
XlogPN/A
Topological Polar Surface Area163
H-Bond Donor1
H-Bond Acceptor13
Rotational Bond Count4
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.O.[O-]S(=O)(=O)[O-]
Isomeric SMILEN/A
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