BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2809
NameNoscapine
Pubchem ID275196
KEGG IDD01036
SourceN/A
TypeUnknown
FunctionAntitussive
Drug Like PropertiesYes
Molecular Weight413.42
Exact mass413.147452
Molecular formulaC22H23NO7
XlogP2.7
Topological Polar Surface Area75.7
H-Bond Donor0
H-Bond Acceptor8
Rotational Bond Count4
IUPAC Name(3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC3=C(C(=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3
Isomeric SMILECN1CCC2=CC3=C(C(=C2[C@@H]1[C@@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3
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