BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1812
NameCodeine
Pubchem ID24832059
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionAnalgesic
Drug Like PropertiesNo
Molecular Weight396.35
Exact mass396.121214
Molecular formulaC18H23NO7P-
XlogPN/A
Topological Polar Surface Area123
H-Bond Donor3
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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