Record No. 1 of 2

ID1856
NameColchicine
Pubchem ID6167
KEGG IDD00570
SourceColchicum speciosum
TypeNatural
FunctionAntirheumatic
Drug Like PropertiesYes
Molecular Weight399.44
Exact mass399.168188
Molecular formulaC22H25NO6
XlogP1
Topological Polar Surface Area83.1
H-Bond Donor1
H-Bond Acceptor6
Rotational Bond Count5
IUPAC NameN-[(7S)-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 SMILECC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Isomeric SMILECC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
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Record No. 2 of 2

ID1867
NameColchicine
Pubchem ID6167
KEGG IDD00570
SourceColchicum speciosum
TypeNatural
FunctionAnti-inflammatory
Drug Like PropertiesYes
Molecular Weight399.44
Exact mass399.168188
Molecular formulaC22H25NO6
XlogP1
Topological Polar Surface Area83.1
H-Bond Donor1
H-Bond Acceptor6
Rotational Bond Count5
IUPAC NameN-[(7S)-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 SMILECC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Isomeric SMILECC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Drugpediawiki
References1. Source  
2. Function  
3. All Records