BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1551
NameBicuculline
Pubchem ID10237
KEGG IDC09364
SourceFumaria bastardii
TypeNatural
FunctionConvulsions
Drug Like PropertiesYes
Molecular Weight367.35
Exact mass367.105587
Molecular formulaC20H17NO6
XlogP2.6
Topological Polar Surface Area66.5
H-Bond Donor0
H-Bond Acceptor7
Rotational Bond Count1
IUPAC Name(6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[4,3-g][1,3]benzodioxol-8-one
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
Isomeric SMILECN1CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
Drugpediawiki
References1. Kucukboyaci,Nat.Prod.Sci.,4,(1998),257
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
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