BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1093
NameAknadicine
Pubchem ID442156
KEGG IDC09325
SourceStephania cepharantha
TypeNatural
FunctionAntimicrobial
Drug Like PropertiesYes
Molecular Weight345.39
Exact mass345.157623
Molecular formulaC19H23NO5
XlogP1.3
Topological Polar Surface Area77
H-Bond Donor2
H-Bond Acceptor6
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C2=C(CCC34C2(CCN3)CC(=O)C(=C4OC)OC)C=C1)O
Isomeric SMILECOC1=C(C2=C(CC[C@@]34[C@@]2(CCN3)CC(=O)C(=C4OC)OC)C=C1)O
Drugpediawiki
References1. Polson,J.Periodontol,68,(1997),119
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
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