Showing entry for morphine-3-glucuronide


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0035676
Compound Namemorphine-3-glucuronide
Structure
FormulaC23H27NO9
InchiKeyWAEXKFONHRHFBZ-ZXDZBKESSA-N
SMILESO[C@@H]1[C@@H](O)[C@@H](O[C@@H]([C@H]1O)C(=O)O)Oc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C
InchiInChI=1S/C23H27NO9/c1-24-7-6-23-10-3-4-12(25)20(23)32-18-13(5-2-9(14(18)23)8-11(10)24)31-22-17(28)15(26)16(27)19(33-22)21(29)30/h2-5,10-12,15-17,19-20,22,25-28H,6-8H2,1H3,(H,29,30)/t10-,11+,12-,15-,16-,17+,19-,20-,22+,23-/m0/s1
IUPAC(2S,3S,4S,5R,6S)-6-[[(4R,4aR,7S,7aR,12bS)-7-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-9-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular Weight461.17
Pubchem Id5484731
Chembl IdCHEMBL1329
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 224029
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
reviewed BXGT019692 Mas-related G-protein coupled receptor member X2 reviewed G-protein coupled receptor MRGPRX2 - - - 28000
CHEMBL CHEMBL1329
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
P35503 BXGT009840 UDP-glucuronosyltransferase 1-3 reviewed - UGT1A3 Km '=' 3200000 nM
P19224 BXGT008468 UDP-glucuronosyltransferase 1-6 reviewed - UGT1A6 Km '=' 18000000 nM
Q9HAW9 BXGT020510 UDP-glucuronosyltransferase 1-8 reviewed - UGT1A8 Vmax '=' 13 pmol/min/mg protein
P16662 BXGT008253 UDP-glucuronosyltransferase 2B7 reviewed - UGT2B7 Km '=' 420000 nM
P35503 BXGT009840 UDP-glucuronosyltransferase 1-3 reviewed - UGT1A3 Vmax '=' 10 pmol/min/mg protein
P16662 BXGT008253 UDP-glucuronosyltransferase 2B7 reviewed - UGT2B7 Vmax '=' 24 pmol/min/mg protein
P22309 BXGT008753 UDP-glucuronosyltransferase 1-1 reviewed - UGT1A1 Vmax '=' 4 pmol/min/mg protein
O60656 BXGT004889 UDP-glucuronosyltransferase 1-9 reviewed - UGT1A9 Vmax '=' 32 pmol/min/mg protein
P16662 BXGT008253 UDP-glucuronosyltransferase 2B7 reviewed - UGT2B7 Vmax '=' 183 pmol/min/mg protein
P16662 BXGT008253 UDP-glucuronosyltransferase 2B7 reviewed - UGT2B7 Km '=' 1000000 nM
Q9HAW9 BXGT020510 UDP-glucuronosyltransferase 1-8 reviewed - UGT1A8 Km '=' 26000000 nM
P19224 BXGT008468 UDP-glucuronosyltransferase 1-6 reviewed - UGT1A6 Vmax '=' 21 pmol/min/mg protein
P22309 BXGT008753 UDP-glucuronosyltransferase 1-1 reviewed - UGT1A1 Km '=' 18700000 nM
P16662 BXGT008253 UDP-glucuronosyltransferase 2B7 reviewed - UGT2B7 Km '=' 245000 nM
P16662 BXGT008253 UDP-glucuronosyltransferase 2B7 reviewed - UGT2B7 Km '=' 58300000 nM
P16662 BXGT008253 UDP-glucuronosyltransferase 2B7 reviewed - UGT2B7 Km '=' 670000 nM
P16662 BXGT008253 UDP-glucuronosyltransferase 2B7 reviewed - UGT2B7 Vmax '=' 309 pmol/min/mg protein
Q9HAW8 BXGT020509 UDP-glucuronosyltransferase 1-10 reviewed - UGT1A10 Km '=' 12600000 nM
Q9HAW8 BXGT020509 UDP-glucuronosyltransferase 1-10 reviewed - UGT1A10 Vmax '=' 629 pmol/min/mg protein
P16662 BXGT008253 UDP-glucuronosyltransferase 2B7 reviewed - UGT2B7 Vmax '=' 425 pmol/min/mg protein
P16662 BXGT008253 UDP-glucuronosyltransferase 2B7 reviewed - UGT2B7 Vmax '=' 650 pmol/min/mg protein
O60656 BXGT004889 UDP-glucuronosyltransferase 1-9 reviewed - UGT1A9 Km '=' 37400000 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00402 Opium poppy Papaver somniferum Herbs and Spices
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