BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2811
NameNoscapine hydrochloride
Pubchem ID9933439
KEGG IDD02172
SourceN/A
TypeUnknown
FunctionAnticancer
Drug Like PropertiesNo
Molecular Weight449.88
Exact mass449.12413
Molecular formulaC22H24ClNO7
XlogPN/A
Topological Polar Surface Area75.7
H-Bond Donor1
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 hydrochloride
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.Cl
Isomeric SMILECN1CCC2=CC3=C(C(=C2[C@@H]1[C@@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3.Cl
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