BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1882
NameColchicine analog
Pubchem ID369942
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight483.49
Exact mass483.098787
Molecular formulaC24H21NO8S
XlogP1.4
Topological Polar Surface Area168
H-Bond Donor7
H-Bond Acceptor8
Rotational Bond Count3
IUPAC Name3,4,5-trihydroxy-N-(1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl)benzamide
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECSC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)O)O)O)NC(=O)C4=CC(=C(C(=C4)O)O)O
Isomeric SMILEN/A
Drugpediawiki
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