BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2026
NameDihydroheroin
Pubchem ID5359460
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight371.43
Exact mass371.173273
Molecular formulaC21H25NO5
XlogP2.5
Topological Polar Surface Area65.1
H-Bond Donor0
H-Bond Acceptor6
Rotational Bond Count4
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECC(=O)OC1CCC2C3CC4=C5C2(C1OC5=C(C=C4)OC(=O)C)CCN3C
Isomeric SMILECC(=O)O[C@H]1CC[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)OC(=O)C)CCN3C
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