BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID3222
NameSinomenine
Pubchem ID5459308
KEGG IDC09643
SourceStephania cepharantha
TypeNatural
FunctionAntirheumatic
Drug Like PropertiesYes
Molecular Weight329.39
Exact mass329.162708
Molecular formulaC19H23NO4
XlogP2.2
Topological Polar Surface Area59
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC23CC(=O)C(=CC2C1CC4=C3C(=C(C=C4)OC)O)OC
Isomeric SMILECN1CC[C@@]23CC(=O)C(=C[C@@H]2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC
Drugpediawiki
References1. Polson,J.Periodontol,68,(1997),119
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records