| Phytochemical Name : Isoliquiritin |
| PCNDIDI0089 |
| Pubchem CID : 5318591 |
| Molecular formula: C21H22O9 |
| Canonical SMILES : C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O |
Synonymes : Isoliquiritin|5041-81-6|Isoliquiritoside|7014-39-3|UNII-2Y348H1V4W|CHEBI:80839|2Y348H1V4W|(E)-1-(2,4-dihydroxyphenyl)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one|4-beta-D-glucopyranosyloxy-2',4'-dihydroxy-trans-chalcone|2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(4-(beta-D-glucopyranosyloxy)phenyl)-, (2E)-|4-[(1E)-3-(2,4-dihydroxyphenyl)-3-oxoprop-1-en-1-yl]phenyl beta-D-glucopyranoside|4-((1E)-3-(2,4-dihydroxyphenyl)-3-oxoprop-1-en-1-yl)phenyl beta-D-glucopyranoside|2-PROPEN-1-ONE, 1-(2,4-DIHYDROXYPHENYL)-3-(4-(.BETA.-D-GLUCOPYRANOSYLOXY)PHENYL)-, (2E)-|2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-[4-(.beta.-D-glucopyranosyloxy)phenyl]-, (2E)-|SCHEMBL676338|CHEMBL599763|MEGxp0_001945|DTXSID901317746|HY-N0765|BDBM50362885|LMPK12120021|MFCD00272145|s9293|AKOS015897131|CCG-268868|AC-34973|AS-56442|CS-0009792|I1144|C16978|A918375|Q-100563|4-(beta-D-Glucopyranosyloxy)-2',4'-dihydroxychalcone|Q27151336|(E)-1-(2,4-Dihydroxyphenyl)-3-(4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)prop-2-en-1-one|(E)-1-(2,4-dihydroxyphenyl)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]prop-2-en-1-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.640 |
| Log Po/w (XLOGP3) : 1.080 |
| Log Po/w (WLOGP) : 0.060 |
| Log Po/w (MLOGP) : -1.000 |
| Log Po/w (SILICOS-IT) : 0.420 |
| Consensus Log Po/w : 0.640 |