BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1613
NameBRN 1549933
Pubchem ID216076
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight307.39
Exact mass307.157229
Molecular formulaC20H21NO2
XlogP3.7
Topological Polar Surface Area32.7
H-Bond Donor1
H-Bond Acceptor3
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C2=C3C(CC4=CC=CC=C42)N(CCC3=C1)CC=C)O
Isomeric SMILECOC1=C(C2=C3[C@@H](CC4=CC=CC=C42)N(CCC3=C1)CC=C)O
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