BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1817
NameCodeine
Pubchem ID5284371
KEGG IDC06174
SourcePapaver setigerum
TypeNatural
FunctionAnalgesic
Drug Like PropertiesYes
Molecular Weight299.36
Exact mass299.152144
Molecular formulaC18H21NO3
XlogP1.1
Topological Polar Surface Area41.9
H-Bond Donor1
H-Bond Acceptor4
Rotational Bond Count1
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O
Isomeric SMILECN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O
Drugpediawiki
References1. Slavikova,Collect.Czech.Chem.Commun.,61,(1996),1047
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
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