BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2808
NameNoscapine
Pubchem ID13500
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionAntitussive
Drug Like PropertiesNo
Molecular Weight449.88
Exact mass449.12413
Molecular formulaC22H24ClNO7
XlogPN/A
Topological Polar Surface Area76.9
H-Bond Donor1
H-Bond Acceptor8
Rotational Bond Count4
IUPAC Name6,7-dimethoxy-3-[(5S)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-3H-2-benzofuran-1-one chloride
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC[NH+]1CCC2=CC3=C(C(=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3.[Cl-]
Isomeric SMILEC[NH+]1CCC2=CC3=C(C(=C2[C@H]1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3.[Cl-]
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