BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2746
NameNarcophine
Pubchem ID5492890
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight898.86
Exact mass898.279648
Molecular formulaC46H46N2O17
XlogPN/A
Topological Polar Surface Area250
H-Bond Donor5
H-Bond Acceptor19
Rotational Bond Count5
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O.CN1CCC2=CC3=C(C(=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3.C1=C(OC(=C(O)O)C(=O)C1=O)C(=O)O
Isomeric SMILECN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O.CN1CCC2=CC3=C(C(=C2[C@@H]1[C@@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3.C1=C(OC(=C(O)O)C(=O)C1=O)C(=O)O
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