Showing entry for Poliothyrsin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0046035
Compound NamePoliothyrsin
Structure
FormulaC20H24O11
InchiKeyCONBSDUUQADCJD-QZFWYPLZSA-N
SMILESOC[C@H]1O[C@@H](Oc2ccc(cc2COC(=O)C2(O)C=CCCC2=O)O)[C@@H]([C@H]([C@@H]1O)O)O
InchiInChI=1S/C20H24O11/c21-8-13-15(24)16(25)17(26)18(31-13)30-12-5-4-11(22)7-10(12)9-29-19(27)20(28)6-2-1-3-14(20)23/h2,4-7,13,15-18,21-22,24-26,28H,1,3,8-9H2/t13-,15-,16+,17-,18-,20?/m1/s1
IUPAC[5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate
Molecular Weight440.13
Pubchem Id44577174
Chembl IdCHEMBL467958
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 CHEMBL467958
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
P35354 BXGT009816 Prostaglandin G/H synthase 2 reviewed Enzyme PTGS2 Inhibition '=' 31 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF04453 Idesia polycarpa Idesia polycarpa 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