BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1687
NameCarbethoxy reticuline
Pubchem ID619498
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight401.45
Exact mass401.183838
Molecular formulaC22H27NO6
XlogP3.6
Topological Polar Surface Area88.5
H-Bond Donor2
H-Bond Acceptor6
Rotational Bond Count6
IUPAC Nameethyl7-hydroxy-1-[(5-hydroxy-4-methoxy-2-methylphenyl)methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECCOC(=O)N1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3C)OC)O)O)OC
Isomeric SMILEN/A
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