BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1960
NameCSH 068
Pubchem ID259676
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight327.42
Exact mass327.183444
Molecular formulaC20H25NO3
XlogP3.7
Topological Polar Surface Area30.9
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count5
IUPAC Name6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC)OC)OC
Isomeric SMILEN/A
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