BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2037
NameDihydrothebaine
Pubchem ID5486617
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight313.39
Exact mass313.167794
Molecular formulaC19H23NO3
XlogP2.6
Topological Polar Surface Area30.9
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(=CC4)OC
Isomeric SMILECN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3C(=CC4)OC
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