BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2053
NameDL-Laudanine
Pubchem ID442304
KEGG IDC09555
SourceStephania macrantha
TypeNatural
FunctionConvulsions
Drug Like PropertiesYes
Molecular Weight343.42
Exact mass343.178358
Molecular formulaC20H25NO4
XlogP3.3
Topological Polar Surface Area51.2
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count5
IUPAC Name5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenol
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)OC)OC
Isomeric SMILECN1CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C=C3)OC)O)OC)OC
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