BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2769
NameN-(Formyldeacetyl)thiocolchicine
Pubchem ID17650
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight401.48
Exact mass401.129694
Molecular formulaC21H23NO5S
XlogP1.8
Topological Polar Surface Area73.9
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count5
IUPAC NameN-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]formamide
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC=O)OC)OC
Isomeric SMILECOC1=C(C(=C2C(=C1)CC[C@@H](C3=CC(=O)C(=CC=C32)SC)NC=O)OC)OC
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