Showing entry for n.a


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0039473
Compound Namen.a
Structure
FormulaC28H44O4
InchiKeyDOIMWOSWVYLKKV-NLHDQFFUSA-N
SMILESCC[C@@]1(C)CCC[C@]2([C@H]1CC[C@@]1([C@@H]2C[C@@H]([C@]2([C@H]1CC=C([C@@H]2O)C(=O)C)C)OC(=O)C)C)C
InchiInChI=1S/C28H44O4/c1-8-25(4)13-9-14-26(5)20(25)12-15-27(6)21-11-10-19(17(2)29)24(31)28(21,7)23(16-22(26)27)32-18(3)30/h10,20-24,31H,8-9,11-16H2,1-7H3/t20-,21-,22+,23-,24-,25-,26-,27-,28+/m0/s1
IUPAC[(1S,4aS,4bR,6S,6aS,7R,10aS,10bR,12aS)-8-acetyl-1-ethyl-7-hydroxy-1,4a,6a,10b-tetramethyl-2,3,4,4b,5,6,7,10,10a,11,12,12a-dodecahydrochrysen-6-yl] acetate
Molecular Weight444.32
Pubchem Id16680129
Chembl IdCHEMBL224775
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 CHEMBL224775
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
P35222 BXGT009799 Catenin beta-1 reviewed - CTNNB1 Activity - - -
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF01017 Xanthorrhoea resinosa Xanthorrhoea resinosa Medicinal Plant
BXGF01743 Uncaria macrophylla Uncaria macrophylla 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