BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1823
NameCodeine
Pubchem ID5359227
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionAntitussive
Drug Like PropertiesNo
Molecular Weight397.36
Exact mass397.129039
Molecular formulaC18H24NO7P
XlogPN/A
Topological Polar Surface Area120
H-Bond Donor4
H-Bond Acceptor8
Rotational Bond Count1
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O.OP(=O)(O)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.OP(=O)(O)O
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