BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2153
NameEtorphine
Pubchem ID26721
KEGG IDN/A
SourceSynthetic
TypeUnknown
FunctionAnalgesic
Drug Like PropertiesYes
Molecular Weight411.53
Exact mass411.240959
Molecular formulaC25H33NO4
XlogP3.1
Topological Polar Surface Area62.2
H-Bond Donor2
H-Bond Acceptor5
Rotational Bond Count4
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECCCC(C)(C1CC23C=CC1(C4C25CCN(C3CC6=C5C(=C(C=C6)O)O4)C)OC)O
Isomeric SMILECCCC(C)(C1C[C@@]23C=CC1(C4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)C)OC)O
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