BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2765
NameNeopinone
Pubchem ID5460444
KEGG IDC06172
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight297.35
Exact mass297.136493
Molecular formulaC18H19NO3
XlogP1.7
Topological Polar Surface Area38.8
H-Bond Donor0
H-Bond Acceptor4
Rotational Bond Count1
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC23C4C(=O)CC=C2C1CC5=C3C(=C(C=C5)OC)O4
Isomeric SMILECN1CC[C@]23C4C(=O)CC=C2[C@H]1CC5=C3C(=C(C=C5)OC)O4
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