BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2697
NameMorphine
Pubchem ID16051935
KEGG IDN/A
SourcePapaver somniferum
TypeNatural
FunctionAnalgesic
Drug Like PropertiesNo
Molecular Weight668.75
Exact mass668.240366
Molecular formulaC34H40N2O10S
XlogPN/A
Topological Polar Surface Area181
H-Bond Donor6
H-Bond Acceptor12
Rotational Bond Count0
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O.CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O.OS(=O)(=O)O
Isomeric SMILECN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O.OS(=O)(=O)O
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