BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1553
NameBicuculline
Pubchem ID6958650
KEGG IDN/A
SourceDicentra cucullaria
TypeNatural
FunctionConvulsions
Drug Like PropertiesYes
Molecular Weight368.36
Exact mass368.113412
Molecular formulaC20H18NO6+
XlogP2.6
Topological Polar Surface Area67.7
H-Bond Donor1
H-Bond Acceptor6
Rotational Bond Count1
IUPAC Name(6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6H-furo[4,3-g][1,3]benzodioxol-8-one
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC[NH+]1CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
Isomeric SMILEC[NH+]1CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
Drugpediawiki
References1. Source  
2. Function  
3. All Records