| General Compound Information |
|
| BXGC Id |
BXGC0025422 |
| Compound Name |
n.a |
| Structure |
 |
| Formula |
C30H44O4 |
| InchiKey |
WHXSEQZSHBSMSL-XENLZXDWSA-N |
| SMILES |
O=CC1=CC([C@H]2[C@@]1(C)[C@H]1CC=C3[C@@]([C@@]1(CC2)C)(C)CC[C@@]1([C@H]3[C@H](O)C(C)(C)CC1)C(=O)O)(C)C |
| Inchi |
InChI=1S/C30H44O4/c1-25(2)12-14-30(24(33)34)15-13-27(5)19(22(30)23(25)32)8-9-21-28(27,6)11-10-20-26(3,4)16-18(17-31)29(20,21)7/h8,16-17,20-23,32H,9-15H2,1-7H3,(H,33,34)/t20-,21-,22+,23-,27+,28+,29-,30-/m0/s1 |
| IUPAC |
(3aS,5aR,5bS,7aR,11S,11aS,13aS,13bS)-1-formyl-11-hydroxy-3,3,5a,5b,10,10,13b-heptamethyl-4,5,6,7,8,9,11,11a,13,13a-decahydro-3aH-cyclopenta[a]chrysene-7a-carboxylic acid |
| Molecular Weight |
468.32 |
| Pubchem Id |
76321490 |
| Chembl Id |
CHEMBL3114759 |
| 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 |
50447861 |
| 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 |
BXGT008901 |
Sucrase-isomaltase, intestinal |
reviewed |
|
Si |
- |
>1000000 |
- |
- |
|
| CHEMBL |
CHEMBL3114759 |
| 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 |
| P23739 |
BXGT008901 |
Sucrase-isomaltase, intestinal |
reviewed |
- |
Si |
Inhibition |
'=' |
32 |
% |
| P23739 |
BXGT008901 |
Sucrase-isomaltase, intestinal |
reviewed |
- |
Si |
IC50 |
'>' |
1000000 |
nM |
|
| Foods containing the compound |
| Foods |
| BXGF Id |
Food Name |
Scientific Name |
Food Group |
| BXGF Id |
Food Name |
Scientific Name |
Food Group |
| BXGF01991 |
Rosa rugosa |
Rosa rugosa |
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
|
|