BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1568
NameBoldine
Pubchem ID10154
KEGG IDC09365
SourceLitsea garciae
TypeNatural
FunctionCholeretics
Drug Like PropertiesYes
Molecular Weight327.37
Exact mass327.147058
Molecular formulaC19H21NO4
XlogP2.7
Topological Polar Surface Area62.2
H-Bond Donor2
H-Bond Acceptor5
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)OC)O
Isomeric SMILECN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)O)OC)O
Drugpediawiki
References1. Lee,Chung-hua Yao Hsueh Tsa Chih,47,(1995),69
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
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