Showing entry for (+)-boscialin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0019161
Compound Name(+)-boscialin
Structure
FormulaC13H22O3
InchiKeyCWLKAPCFJXJCEO-JFALBFGYSA-N
SMILESO[C@@H]1C[C@H](C)[C@@](C(C1)(C)C)(O)/C=C/C(=O)C
InchiInChI=1S/C13H22O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-6,9,11,15-16H,7-8H2,1-4H3/b6-5+/t9-,11+,13-/m0/s1
IUPAC(E)-4-[(1R,4R,6S)-1,4-dihydroxy-2,2,6-trimethylcyclohexyl]but-3-en-2-one
Molecular Weight226.16
Pubchem Id10846879
Chembl IdCHEMBL476005
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 CHEMBL476005
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
P00591 BXGT005592 Pancreatic triacylglycerol lipase reviewed - PNLIP Inhibition - - -
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00369 Sacred lotus Nelumbo nucifera Vegetables
BXGF03078 Chrysanthemum x morifolium Chrysanthemum x morifolium Medicinal Plant
BXGF03432 Chrysanthemum indicum Chrysanthemum indicum 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