BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2558
NameLS-21469
Pubchem ID53072
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight403.90
Exact mass403.155036
Molecular formulaC22H26ClNO4
XlogPN/A
Topological Polar Surface Area41.4
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count4
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECC1=C2C3=C(C4=CC(=C(C=C14)OC)OC)C(=C(C=C3CC[NH+]2C)OC)OC.[Cl-]
Isomeric SMILEN/A
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