Showing entry for 5Alpha-Epoxyalantolactone


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0047707
Compound Name5Alpha-Epoxyalantolactone
Structure
FormulaC15H20O3
InchiKeyYIQKVCDNUFDAHB-HKKVUVRFSA-N
SMILESO=C1O[C@H]2[C@@H](C1=C)[C@@H]1O[C@@]31[C@](C2)(C)CCC[C@@H]3C
InchiInChI=1S/C15H20O3/c1-8-5-4-6-14(3)7-10-11(9(2)13(16)17-10)12-15(8,14)18-12/h8,10-12H,2,4-7H2,1,3H3/t8-,10+,11+,12-,14+,15-/m0/s1
IUPAC
Molecular Weight248.14
Pubchem Id474521
Chembl IdCHEMBL2332657
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 CHEMBL2332657
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
P04202 BXGT026120 Transforming growth factor beta-1 proprotein reviewed - Tgfb1 Inhibition - - -
Q8BUN5 BXGT026119 Mothers against decapentaplegic homolog 3 reviewed - Smad3 Inhibition '=' 77 %
P04202 BXGT026120 Transforming growth factor beta-1 proprotein reviewed - Tgfb1 Inhibition '=' 77 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF02542 Inula helenium Inula helenium 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