Showing entry for 3alpha,29-Dihydroxytirucalla-7,24-diene-21-oic acid


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0046091
Compound Name3alpha,29-Dihydroxytirucalla-7,24-diene-21-oic acid
Structure
FormulaC30H48O4
InchiKeyNWCRCEJGWLWBDH-NLTIPYINSA-N
SMILESOC[C@@]1(C)[C@H](O)CC[C@]2([C@H]1CC=C1[C@@H]2CC[C@@]2([C@]1(C)CC[C@H]2[C@@H](C(=O)O)CCC=C(C)C)C)C
InchiInChI=1S/C30H48O4/c1-19(2)8-7-9-20(26(33)34)21-12-16-30(6)23-10-11-24-27(3,22(23)13-17-29(21,30)5)15-14-25(32)28(24,4)18-31/h8,10,20-22,24-25,31-32H,7,9,11-18H2,1-6H3,(H,33,34)/t20-,21-,22-,24+,25+,27+,28+,29-,30+/m0/s1
IUPAC
Molecular Weight472.36
Pubchem Id10719252
Chembl IdCHEMBL479702
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 CHEMBL479702
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
Q9YQ12 BXGT022394 Protease unreviewed - protease IC50 '>' 100 ug.mL-1
Q9YQ12 BXGT022394 Protease unreviewed - protease Inhibition '=' 26 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF04975 Xanthoceras sorbifolia Xanthoceras sorbifolia 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