BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1515
NameBG-9
Pubchem ID53594
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight586.76
Exact mass586.340673
Molecular formulaC36H46N2O5
XlogP6.4
Topological Polar Surface Area60.5
H-Bond Donor0
H-Bond Acceptor6
Rotational Bond Count11
IUPAC Name(1-butyl-4-phenylpiperidin-4-yl)-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECCCCN1CCC(CC1)(C2=CC=CC=C2)C(=O)N3CCC4=CC(=C(C=C4C3CC5=CC(=C(C=C5)OC)OC)OC)OC
Isomeric SMILEN/A
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