| Phytochemical Name : Myricetin 3-O-glucuronide |
| PCNDIDM0173 |
| Pubchem CID : 5487413 |
| Molecular formula: C21H18O14 |
| Canonical SMILES : C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)C(=O)O)O)O)O |
Synonymes : Myricetin 3-O-glucuronide|77363-65-6|Myricetin-3-O-beta-D-glucuronide|CHEMBL458470|CHEBI:75807|(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|SCHEMBL9163753|DTXSID00228085|BDBM50269642|myricetin 3-O-beta-D-glucoronopyranoside|myricetin 3-O-beta-D-glucopyranosiduronic acid|Q27145557|3-(beta-D-Glucopyranuronosyloxy)-3',4',5,5',7-pentahydroxyflavone|5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl beta-D-glucopyranosiduronic acid|beta-D-Glucopyranosiduronic acid, 5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-3-yl |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 0.770 |
| Log Po/w (XLOGP3) : 0.250 |
| Log Po/w (WLOGP) : -0.740 |
| Log Po/w (MLOGP) : -3.080 |
| Log Po/w (SILICOS-IT) : -1.510 |
| Consensus Log Po/w : -0.860 |