| General Compound Information |
|
| BXGC Id |
BXGC0038668 |
| Compound Name |
14-Deoxy-11,12-Didehydro-3,19-Dinicotinate-15-(2,8-Dimethanyl-2,7-Octanedieneylidene)-Andrographolide |
| Structure |
 |
| Formula |
C42H48N2O6 |
| InchiKey |
FGJYTYSOHPJTRK-SSGBKKNDSA-N |
| SMILES |
C/C=C/CCC/C=C(/C=C/1\C=C(C(=O)O1)/C=C/[C@@H]1C(=C)CC[C@H]2[C@@]1(C)CC[C@H]([C@@]2(C)COC(=O)c1cccnc1)OC(=O)c1cccnc1)\C |
| Inchi |
InChI=1S/C42H48N2O6/c1-6-7-8-9-10-13-29(2)24-34-25-31(39(46)49-34)17-18-35-30(3)16-19-36-41(35,4)21-20-37(50-40(47)33-15-12-23-44-27-33)42(36,5)28-48-38(45)32-14-11-22-43-26-32/h6-7,11-15,17-18,22-27,35-37H,3,8-10,16,19-21,28H2,1-2,4-5H3/b7-6+,18-17+,29-1 |
| IUPAC |
[(1R,2R,4aR,5R,8aS)-1,4a-dimethyl-6-methylidene-5-[(E)-2-[(5E)-5-[(2E,7E)-2-methylnona-2,7-dienylidene]-2-oxofuran-3-yl]ethenyl]-2-(pyridine-3-carbonyloxy)-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl pyridine-3-carboxylate |
| Molecular Weight |
676.35 |
| Pubchem Id |
44437487 |
| Chembl Id |
CHEMBL396677 |
| Targets of Information Source |
| DrugBank |
n.a |
| Uniport Id |
BXGT Id |
Protein Name |
Status |
Protein Class |
Gene |
Groups |
Target Type |
| Uniport Id |
BXGT Id |
Protein Name |
Status |
Protein Class |
Gene |
Groups |
Target Type |
|
| PDB |
n.a |
| Uniport Id |
BXGT Id |
Protein Name |
Status |
Protein Class |
Gene |
Ki nM |
ic50 nM |
Kd nM |
Ka M-1 |
| Uniport Id |
BXGT Id |
Protein Name |
Status |
Protein Class |
Gene |
Ki nM |
ic50 nM |
Kd nM |
Ka M-1 |
|
| Binding DB |
50210447 |
| Uniport Id |
BXGT Id |
Protein Name |
Status |
Protein Class |
Gene |
Ki nM |
ic50 nM |
Kd nM |
EC50 nM |
| Uniport Id |
BXGT Id |
Protein Name |
Status |
Protein Class |
Gene |
Ki nM |
ic50 nM |
Kd nM |
EC50 nM |
| reviewed |
BXGT004594 |
Maltase-glucoamylase, intestinal |
reviewed |
Enzyme |
MGAM |
- |
28000 |
- |
- |
|
| CHEMBL |
CHEMBL396677 |
| Uniport Id |
BXGT Id |
Protein Name |
Status |
Protein Class |
Gene |
width="10%">Type |
Relation |
value |
Units |
| Uniport Id |
BXGT Id |
Protein Name |
Status |
Protein Class |
Gene |
Type |
Relation |
value |
Units |
| O43451 |
BXGT004594 |
Maltase-glucoamylase, intestinal |
reviewed |
Enzyme |
MGAM |
IC50 |
'=' |
28000 |
nM |
| O43451 |
BXGT004594 |
Maltase-glucoamylase, intestinal |
reviewed |
Enzyme |
MGAM |
Inhibition |
'=' |
68 |
% |
|
| Foods containing the compound |
| Foods |
| BXGF Id |
Food Name |
Scientific Name |
Food Group |
| BXGF Id |
Food Name |
Scientific Name |
Food Group |
| BXGF05115 |
Andrographis paniculata |
Andrographis paniculata |
Medicinal Plant |
|
| The compound-realted diseases |
| Diseases |
| BXGD Id |
Disease Name |
CUI Disease Id |
Disease Class Name |
Number of targets?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease
|
|