BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1893
NameColchicine,N-deacetyl-fluorescinyl-
Pubchem ID630409
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight673.71
Exact mass673.231182
Molecular formulaC40H35NO9
XlogP5
Topological Polar Surface Area133
H-Bond Donor3
H-Bond Acceptor9
Rotational Bond Count7
IUPAC Name2-(3,6-dihydroxy-9H-xanthen-9-yl)-N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl)benzamide
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C4=CC=CC=C4C5C6=C(C=C(C=C6)O)OC7=C5C=CC(=C7)O
Isomeric SMILEN/A
Drugpediawiki
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