BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2560
NameLS-21485
Pubchem ID51607
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight371.43
Exact mass371.173273
Molecular formulaC21H25NO5
XlogP2.8
Topological Polar Surface Area60
H-Bond Donor0
H-Bond Acceptor5
Rotational Bond Count4
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC[N+]1(CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)OC)[O-]
Isomeric SMILEC[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)OC)OC)OC)[O-]
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