BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1650
NameBuprenorphine
Pubchem ID441363
KEGG IDD07132
SourceN/A
TypeUnknown
FunctionDelta Antagonist
Drug Like PropertiesYes
Molecular Weight467.64
Exact mass467.303559
Molecular formulaC29H41NO4
XlogP5
Topological Polar Surface Area62.2
H-Bond Donor2
H-Bond Acceptor5
Rotational Bond Count5
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECC(C)(C)C(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)O
Isomeric SMILECC(C)(C)C(C)([C@H]1C[C@@]23CCC1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)O
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