BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1265
NameBebeerine dimethiodide
Pubchem ID3059579
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight878.57
Exact mass878.128873
Molecular formulaC38H44I2N2O6
XlogPN/A
Topological Polar Surface Area77.4
H-Bond Donor2
H-Bond Acceptor8
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC[N+]1(CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)O)O3)[N+](CCC6=CC(=C5O)OC)(C)C)OC)C.[I-].[I-]
Isomeric SMILEC[N+]1(CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C6[C@H](CC7=CC(=C(C=C7)O)O3)[N+](CCC6=CC(=C5O)OC)(C)C)OC)C.[I-].[I-]
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