BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1768
NameCID626173
Pubchem ID626173
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight519.97
Exact mass519.165995
Molecular formulaC26H30ClNO8
XlogP3.8
Topological Polar Surface Area101
H-Bond Donor0
H-Bond Acceptor8
Rotational Bond Count11
IUPAC Nameethyl7-acetyloxy-1-[[5-acetyloxy-2-(chloromethyl)-4-methoxyphenyl]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=C3CCl)OC)OC(=O)C)OC(=O)C)OC
Isomeric SMILEN/A
Drugpediawiki
References1. Source  
2. Function  
3. All Records