| Phytochemical Name : Neoliquiritin |
| PCNDIDN0038 |
| Pubchem CID : 51666248 |
| Molecular formula: C21H22O9 |
| Canonical SMILES : C1C(OC2=C(C1=O)C=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O |
Synonymes : Neoliquiritin|5088-75-5|Liquiritigenin 7-beta-D-glucopyranoside|UNII-5X51Y867TK|5X51Y867TK|4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-2,3-dihydro-2-(4-hydroxyphenyl)-, (2S)-|CHEBI:191812|DTXSID501317518|(2S)-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one|HY-N2123|MFCD28009140|AKOS030530352|MS-27309|CS-0018643|FT-0772575|LIQUIRITIGENIN 7-.BETA.-D-GLUCOPYRANOSIDE|Q27262993|4H-1-BENZOPYRAN-4-ONE, 7-(.BETA.-D-GLUCOPYRANOSYLOXY)-2,3-DIHYDRO-2-(4-HYDROXYPHENYL)-, (2S)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.950 |
| Log Po/w (XLOGP3) : 0.460 |
| Log Po/w (WLOGP) : -0.050 |
| Log Po/w (MLOGP) : -0.920 |
| Log Po/w (SILICOS-IT) : 0.360 |
| Consensus Log Po/w : 0.360 |