BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1850
NameColchicine
Pubchem ID24848032
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight684.80
Exact mass684.271666
Molecular formulaC35H44N2O10S
XlogPN/A
Topological Polar Surface Area158
H-Bond Donor2
H-Bond Acceptor11
Rotational Bond Count12
IUPAC Name4-(dipropylsulfamoyl)benzoic acid;N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl)acetamide
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O.CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Isomeric SMILEN/A
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