BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2830
NameNSC326129
Pubchem ID331674
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight523.49
Exact mass523.147846
Molecular formulaC27H25NO10
XlogP3.3
Topological Polar Surface Area121
H-Bond Donor0
H-Bond Acceptor10
Rotational Bond Count9
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C(=C(C=C1)C(=O)OC)C2=C(C(=C3N2CCC4=CC5=C(C=C43)OCO5)C(=O)OC)C(=O)OC)OC
Isomeric SMILEN/A
Drugpediawiki
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