BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2773
NameNicomorphine
Pubchem ID5362460
KEGG IDD07285
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight495.53
Exact mass495.179421
Molecular formulaC29H25N3O5
XlogP2.7
Topological Polar Surface Area90.9
H-Bond Donor0
H-Bond Acceptor8
Rotational Bond Count6
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC23C4C1CC5=C2C(=C(C=C5)OC(=O)C6=CN=CC=C6)OC3C(C=C4)OC(=O)C7=CN=CC=C7
Isomeric SMILECN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC(=O)C6=CN=CC=C6)O[C@H]3[C@H](C=C4)OC(=O)C7=CN=CC=C7
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