| Phytochemical Name : Fraxin |
| PCNDIDF0048 |
| Pubchem CID : 5273568 |
| Molecular formula: C16H18O10 |
| Canonical SMILES : COC1=C(C(=C2C(=C1)C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O)O |
Synonymes : Fraxin|524-30-1|paviin|Fraxetin-8-O-glucoside|Fraxoside|FRAXINE|UNII-V7M270Y072|EINECS 208-355-5|2H-1-Benzopyran-2-one, 8-(beta-D-glucopyranosyloxy)-7-hydroxy-6-methoxy-|V7M270Y072|8-(beta-D-Glucopyranosyloxy)-7-hydroxy-6-methoxy-2H-1-benzopyran-2-one|MFCD00010093|C16H18O10|2H-1-Benzopyran-2-one, 8-(.beta.-D-glucopyranosyloxy)-7-hydroxy-6-methoxy-|7-hydroxy-6-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one|FRAXIN [MI]|Fraxin, analytical standard|FRAXETOL 8-GLUCOSIDE|MLS002473090|fraxetin-8-O-beta-D-glucoside|CHEBI:5170|CHEMBL293864|MEGxp0_000484|SCHEMBL1227439|ACon1_000325|DTXSID30200410|fraxetin-8-beta-D-glucopyranoside|HMS2225L24|HY-N0579|fraxetin-8-O-beta-D-glucopyranoside|BDBM50428429|s9296|AKOS037514646|CCG-268292|C16-H18-O10|NCGC00169184-01|7-hydroxy-6-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-one|AC-34583|AS-77295|SMR001397192|FRAXETIN 8-.BETA.-D-GLUCOPYRANOSIDE|LS-193365|CS-0009114|7,8-dihydroxy-6-methoxycoumarin-8-beta-D-glucoside|Q-100594|Q1452081|BRD-K31984062-001-01-6|8-(beta-d-glucopyranosyloxy)-7-hydroxy-6-methoxycoumarin|7,8-DIHYDROXY-6-METHOXYCOUMARIN 8-.BETA.-D-GLUCOPYRANOSIDE|7-hydroxy-6-methoxy-2-oxo-2H-chromen-8-yl beta-D-glucopyranoside|METHYL3,3,3-TRIFLUORO-2-[2,2,2-TRIFLUORO-ACETYLIMINO]PROPIONATE|7-Hydroxy-6-methoxy-8-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2H-chromen-2-one|7-hydroxy-6-methoxy-8-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)-2H-chromen-2-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.380 |
| Log Po/w (XLOGP3) : -0.630 |
| Log Po/w (WLOGP) : -1.310 |
| Log Po/w (MLOGP) : -1.730 |
| Log Po/w (SILICOS-IT) : -0.660 |
| Consensus Log Po/w : -0.590 |