BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2054
NameDNPM
Pubchem ID5745390
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight451.43
Exact mass451.13795
Molecular formulaC23H21N3O7
XlogP2.4
Topological Polar Surface Area128
H-Bond Donor1
H-Bond Acceptor8
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC23C4C1CC5=C2C(=C(C=C5)OC6=C(C=C(C=C6)[N+](=O)[O-])[N+](=O)[O-])OC3C(C=C4)O
Isomeric SMILECN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC6=C(C=C(C=C6)[N+](=O)[O-])[N+](=O)[O-])O[C@H]3[C@H](C=C4)O
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