BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2825
NameNSC274893
Pubchem ID5458548
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight701.25
Exact mass700.29153
Molecular formulaC40H45ClN2O7
XlogPN/A
Topological Polar Surface Area72.3
H-Bond Donor1
H-Bond Acceptor9
Rotational Bond Count8
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC[NH+]1CCC2=CC(=C(C3=C2C1CC4=C(C=CC(=C43)OC)OC5=C(C=C6C(=C5)CC7C8=C6C(=C(C=C8CCN7C)OC)OC)OC)OC)OC.[Cl-]
Isomeric SMILEN/A
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