BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1937
NameCoralyne
Pubchem ID38198
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionDNA Topoisomerse antagonist
Drug Like PropertiesNo
Molecular Weight503.52
Exact mass503.125002
Molecular formulaC24H25NO9S
XlogPN/A
Topological Polar Surface Area136
H-Bond Donor1
H-Bond Acceptor9
Rotational Bond Count5
IUPAC Name2-hydroxy-2-oxoethanesulfonate;2,3,10,11-tetramethoxy-8-methylisoquinolino[3,2-a]isoquinolin-7-ium
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECC1=C2C=C(C(=CC2=CC3=[N+]1C=CC4=CC(=C(C=C43)OC)OC)OC)OC.C(C(=O)O)S(=O)(=O)[O-]
Isomeric SMILEN/A
Drugpediawiki
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