BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1749
NameCID25021332
Pubchem ID25021332
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight361.82
Exact mass361.108086
Molecular formulaC19H20ClNO4
XlogPN/A
Topological Polar Surface Area51.2
H-Bond Donor2
H-Bond Acceptor5
Rotational Bond Count1
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC3=C(C4=C2C1CC5=C4C(=C(C=C5)OC)O)OCO3.Cl
Isomeric SMILECN1CCC2=CC3=C(C4=C2[C@H]1CC5=C4C(=C(C=C5)OC)O)OCO3.Cl
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