BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2818
NameNSC118078
Pubchem ID12317241
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight377.86
Exact mass377.139386
Molecular formulaC20H24ClNO4
XlogPN/A
Topological Polar Surface Area49.3
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count6
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolinehydrochloride
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C=C(C=C1)CC2=NCCC3=CC(=C(C=C32)OC)OC)OC.Cl
Isomeric SMILEN/A
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