Record No. 1 of 3

ID1854
NameColchicine
Pubchem ID6167
KEGG IDD00570
SourceColchicum brachyphyllum
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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References1. Source  
2. Function  
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Record No. 2 of 3

ID1865
NameColchicine
Pubchem ID6167
KEGG IDD00570
SourceColchicum brachyphyllum
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  
Record No. 3 of 3

ID2007
NameDemecolcine
Pubchem ID2832
KEGG IDC11250
SourceColchicum brachyphyllum
TypeNatural
FunctionAntineoplastic
Drug Like PropertiesYes
Molecular Weight371.43
Exact mass371.173273
Molecular formulaC21H25NO5
XlogP1.4
Topological Polar Surface Area66
H-Bond Donor1
H-Bond Acceptor6
Rotational Bond Count5
IUPAC Name1,2,3,10-tetramethoxy-7-methylamino-6,7-dihydro-5H-benzo[g]heptalen-9-one
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Isomeric SMILEN/A
Drugpediawiki
References1. Kaufman,Synthesis,(2005),339
2. Harborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21
3. Source  
4. Function  
5. All Records