Showing entry for Myricetin-3-O-Beta-D-Glucuronide


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0017694
Compound NameMyricetin-3-O-Beta-D-Glucuronide
Structure
FormulaC21H18O14
InchiKeyMBWOCQLTCWTIJE-ZUGPOPFOSA-N
SMILESOc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)c1cc(O)c(c(c1)O)O
InchiInChI=1S/C21H18O14/c22-6-3-7(23)11-10(4-6)33-17(5-1-8(24)12(26)9(25)2-5)18(13(11)27)34-21-16(30)14(28)15(29)19(35-21)20(31)32/h1-4,14-16,19,21-26,28-30H,(H,31,32)/t14-,15-,16+,19-,21+/m0/s1
IUPAC(2S,3S,4S,5R,6S)-6-[5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular Weight494.07
Pubchem Id5487413
Chembl IdCHEMBL458470
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 CHEMBL458470
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 IC50 '=' 8000 nM
P23219 BXGT008837 Prostaglandin G/H synthase 1 reviewed Enzyme PTGS1 IC50 '=' 10000 nM
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
BXGF01083 Elymus repens Elymus repens Medicinal Plant
BXGF01309 Ajuga genevensis Ajuga genevensis Garden Plant
BXGF01488 Cyrtomium falcatum Cyrtomium falcatum Medicinal Plant
BXGF02012 Glochidion sphaerogynum Glochidion sphaerogynum Medicinal Plant
BXGF02187 Boronia pinnata Boronia pinnata Others
BXGF02435 Pinguicula vulgaris Pinguicula vulgaris Medicinal Plant
BXGF03350 Tarenaya spinosa Tarenaya spinosa Medicinal Plant
BXGF03404 Hippocratea excelsa Hippocratea excelsa Medicinal Plant
BXGF04953 Polygonum aviculare Polygonum aviculare Medicinal Plant
BXGF05633 Pongamiopsis pervilleana Pongamiopsis pervilleana Others
BXGF05928 Cleistanthus indochinensis Cleistanthus indochinensis Others
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