Showing entry for n.a


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0026345
Compound Namen.a
Structure
FormulaC21H36O10
InchiKeyYBPOIRBPAOCVPU-SRGUVOPWSA-N
SMILESCC1=CC[C@H](CC1)C(O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H]([C@@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O)(C)C
InchiInChI=1S/C21H36O10/c1-10-4-6-11(7-5-10)21(2,3)31-20-18(27)16(25)15(24)13(30-20)9-29-19-17(26)14(23)12(22)8-28-19/h4,11-20,22-27H,5-9H2,1-3H3/t11-,12+,13-,14+,15-,16+,17-,18-,19+,20+/m1/s1
IUPAC(2S,3R,4S,5S,6R)-2-[2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-yloxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
Molecular Weight448.23
Pubchem Id90671008
Chembl IdCHEMBL3236508
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 n.a
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
CHEMBL CHEMBL3236508
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
P34913 BXGT009770 Bifunctional epoxide hydrolase 2 reviewed Enzyme EPHX2 Inhibition '<' 40 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF05520 Euphorbia humifusa Euphorbia humifusa 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