BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2816
NameNSC11429
Pubchem ID24181771
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight350.86
Exact mass350.152296
Molecular formulaC19H25ClNO3-
XlogPN/A
Topological Polar Surface Area30.9
H-Bond Donor0
H-Bond Acceptor5
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(CC4)OC.[Cl-]
Isomeric SMILECN1CC[C@]23[C@@H]4C(CCC2[C@H]1CC5=C3C(=C(C=C5)OC)O4)OC.[Cl-]
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