BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID3425
NameTHEBAINE PICRATE
Pubchem ID5360113
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight540.48
Exact mass540.149243
Molecular formulaC25H24N4O10
XlogPN/A
Topological Polar Surface Area185
H-Bond Donor1
H-Bond Acceptor10
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC[NH+]1CCC23C4C(=CC=C2C1CC5=C3C(=C(C=C5)OC)O4)OC.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]
Isomeric SMILEC[NH+]1CC[C@]23C4C(=CC=C2[C@H]1CC5=C3C(=C(C=C5)OC)O4)OC.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]
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