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Name | Morphine-3-glucuronide |
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Molecular formula | C23H27NO9 |
IUPAC name | (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]isoquinolin-9-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid |
Molecular weight | 461.467 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 5 |
XlogP | -3.0 |
Synonyms | Morphine 3-beta-D-glucuronide UNII-O27Z9CH39A beta-D-Glucopyranosiduronic acid, (5alpha,6alpha)-7,8-didehydro-4,5-epoxy-6-hydroxy-17-methylmorphinan-3-yl Morphine-3-beta-D-glucuronide (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(1S,5R,13R,14S,17R)-14-hydroxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0;{1,13}.0;{5,17}.0;{7,18}]octadeca-7(18),8,10,15-tetraen-10-yl]oxy}oxane-2-carboxylic acid [ Show all ] |
Inchi Key | WAEXKFONHRHFBZ-ZXDZBKESSA-N |
Inchi ID | InChI=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 |
PubChem CID | 5484731 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 224029 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
531881 | Mas-related G-protein coupled receptor member X2 | Q96LB1 | MRGPRX2 | Homo sapiens (Human) | 330 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218