BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2170
NameFugapavine
Pubchem ID121336
KEGG IDC09588
SourcePapaver confine
TypeNatural
FunctionConvulsions
Drug Like PropertiesYes
Molecular Weight295.33
Exact mass295.120843
Molecular formulaC18H17NO3
XlogP2.4
Topological Polar Surface Area38.8
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count0
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC3=C(C4=C2C1CC45C=CC(=O)C=C5)OCO3
Isomeric SMILECN1CCC2=CC3=C(C4=C2[C@@H]1CC45C=CC(=O)C=C5)OCO3
Drugpediawiki
References1. Slavik,Collect.Czech.Chem.Commun.,54,(1989),118
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
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