BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1557
NameBicuculline methoxide
Pubchem ID170533
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight399.39
Exact mass399.131802
Molecular formulaC21H21NO7
XlogP2.2
Topological Polar Surface Area86.7
H-Bond Donor1
H-Bond Acceptor8
Rotational Bond Count4
IUPAC Namemethyl5-[hydroxy-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]-1,3-benzodioxole-4-carboxylate
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC3=C(C=C2C1C(C4=C(C5=C(C=C4)OCO5)C(=O)OC)O)OCO3
Isomeric SMILEN/A
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