BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2763
NameNeoisocodeine
Pubchem ID5486611
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight299.36
Exact mass299.152144
Molecular formulaC18H21NO3
XlogP1.8
Topological Polar Surface Area41.9
H-Bond Donor1
H-Bond Acceptor4
Rotational Bond Count1
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC23C4C=CC(C2C1CC5=C3C(=C(C=C5)OC)O4)O
Isomeric SMILECN1CC[C@]23[C@@H]4C=C[C@@H]([C@H]2[C@H]1CC5=C3C(=C(C=C5)OC)O4)O
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