| Phytochemical Name : Neoisoliquiritin |
| PCNDIDN0036 |
| Pubchem CID : 5320092 |
| Molecular formula: C21H22O9 |
| Canonical SMILES : C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O |
Synonymes : Neoisoliquiritin|Neoisoliquiritine|59122-93-9|Isoneoliquiritin|UNII-3TQG647UAN|3TQG647UAN|2-Propen-1-one, 1-(4-(beta-D-glucopyranosyloxy)-2-hydroxyphenyl)-3-(4-hydroxyphenyl)-, (2E)-|(E)-3-(4-hydroxyphenyl)-1-[2-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one|isoliquiritigenin 4'-glucoside|CHEMBL4749052|CHEBI:191686|DTXSID501316827|HY-N2122|MFCD01075137|AKOS040760590|MS-27310|CS-0018642|Q27258020|3-Hydroxy-4-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]phenyl hexopyranoside|(E)-3-(4-hydroxyphenyl)-1-[2-hydroxy-4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one|2-PROPEN-1-ONE, 1-(4-(.BETA.-D-GLUCOPYRANOSYLOXY)-2-HYDROXYPHENYL)-3-(4-HYDROXYPHENYL)-, (2E)-|23141-04-0 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.570 |
| Log Po/w (XLOGP3) : 0.610 |
| Log Po/w (WLOGP) : 0.060 |
| Log Po/w (MLOGP) : -1.000 |
| Log Po/w (SILICOS-IT) : 0.420 |
| Consensus Log Po/w : 0.530 |