BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2673
NameMagnoflorine styphnate
Pubchem ID5748540
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight586.50
Exact mass586.154722
Molecular formulaC26H26N4O12
XlogPN/A
Topological Polar Surface Area232
H-Bond Donor3
H-Bond Acceptor12
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)O)OC)C.C1=C(C(=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[O-])[N+](=O)[O-]
Isomeric SMILEC[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)O)OC)C.C1=C(C(=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[O-])[N+](=O)[O-]
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