BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2042
NameDiprenorphine
Pubchem ID26644
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionNarcotic Antagonist
Drug Like PropertiesYes
Molecular Weight425.56
Exact mass425.256609
Molecular formulaC26H35NO4
XlogP3.6
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 SMILECC(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)O
Isomeric SMILECC(C)(C1C[C@@]23CCC1(C4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)O
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