BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1748
NameCID25021300
Pubchem ID25021300
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight794.99
Exact mass794.402346
Molecular formulaC40H62N2O12S
XlogPN/A
Topological Polar Surface Area162
H-Bond Donor1
H-Bond Acceptor12
Rotational Bond Count4
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1CCC2CC3C4CC5C(CC4CC[NH+]3CC2C1OC)OCO5.COC1=C(C2=C(CC1)CC3=[N+](C2)CCC4C3CC5C(C4)OCO5)OC.[O-]S(=O)(=O)[O-]
Isomeric SMILEN/A
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