BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2565
NameLS-97010
Pubchem ID3032729
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight379.88
Exact mass379.133907
Molecular formulaC23H22ClNO2
XlogPN/A
Topological Polar Surface Area44.9
H-Bond Donor3
H-Bond Acceptor3
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC1C[NH+](C2CC3=C(C4=C2C1=CC=C4)C(=C(C=C3)O)O)CC5=CC=CC=C5.[Cl-]
Isomeric SMILEC1C[NH+]([C@@H]2CC3=C(C4=C2C1=CC=C4)C(=C(C=C3)O)O)CC5=CC=CC=C5.[Cl-]
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