| Phytochemical Name : Isorhoifolin |
| PCNDIDI0117 |
| Pubchem CID : 9851181 |
| Molecular formula: C27H30O14 |
| Canonical SMILES : CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)O)O)O)O)O)O |
Synonymes : Isorhoifolin|552-57-8|Isorhoifoline|Apigenin-7-O-rutinoside|Apigenin 7-O-rutinoside|UNII-0B66T65281|EINECS 209-015-9|0B66T65281|Apigenin 7-rutinoside|7-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-benzopyran-4-one|Apigenin 7-.beta.-rutinoside|7-[[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-benzopyran-4-one|Diosmin EP Impurity C|Apigenin 7-O-beta-rutinoside|CHEMBL454778|DTXSID50970527|4H-1-BENZOPYRAN-4-ONE, 7-((6-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-5-HYDROXY-2-(4-HYDROXYPHENYL)-|HY-N3460|BDBM50524085|MFCD00148889|AKOS040760482|CS-O-13587|AC-35076|APIGENIN-7-O-.BETA.-D-RUTINOSIDE|AS-82865|CS-0024296|5,7,4'-TRIHYDROXYFLAVONE 7-O-RUTINOSIDE|APIGENIN-7-O-GLUCO(6'-1''') RHAMNOSIDE|Q27236566|FLAVONE, 4',5,7-TRIHYDROXY-, 7-.BETA.-RUTINOSIDE|APIGENIN 7-O-.ALPHA.-L-RHAMNOSYL-(1->6)-.BETA.-D-GLUCOPYRANOSIDE|APIGENIN 7-O-.ALPHA.-L-RHAMNOPYRANOSYL-(1->6)-.BETA.-D-GLUCOPYRANOSIDE|APIGENIN 7-O-.BETA.-D-GLUCOPYRANOSYL-(6->1)-.ALPHA.-L-RHAMNOPYRANOSIDE|36790-49-5|4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-|5-Hydroxy-2-(4-hydroxyphenyl)-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one|5-hydroxy-2-(4-hydroxyphenyl)-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yloxy)methyl)tetrahydro-2H-pyran-2-yloxy)-4H-chromen-4-one|7-((6-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-5-HYDROXY-2-(4-HYDROXYPHENYL)-4H-1-BENZOPYRAN-4-ONE |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 2.980 |
| Log Po/w (XLOGP3) : 0.170 |
| Log Po/w (WLOGP) : -1.100 |
| Log Po/w (MLOGP) : -2.960 |
| Log Po/w (SILICOS-IT) : -1.170 |
| Consensus Log Po/w : -0.410 |

