BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2857
NameO-Methyldauricine
Pubchem ID200521
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight638.79
Exact mass638.335587
Molecular formulaC39H46N2O6
XlogP7
Topological Polar Surface Area61.9
H-Bond Donor0
H-Bond Acceptor8
Rotational Bond Count11
IUPAC Name(1R)-1-[[3-[4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-4-methoxyphenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5C)OC)OC)OC)OC)OC
Isomeric SMILECN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)C[C@@H]5C6=CC(=C(C=C6CCN5C)OC)OC)OC)OC)OC
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