BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1064
Name7-bromoethoxyphenyl tetrahydropalatine
Pubchem ID3082983
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight555.48
Exact mass554.154211
Molecular formulaC29H33BrNO5+
XlogP5.5
Topological Polar Surface Area46.2
H-Bond Donor0
H-Bond Acceptor5
Rotational Bond Count8
IUPAC Name7-[2-(2-bromoethoxy)phenyl]-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C2=C(CC3C4=CC(=C(C=C4CC[N+]3(C2)C5=CC=CC=C5OCCBr)OC)OC)C=C1)OC
Isomeric SMILEN/A
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