| Phytochemical Name : (E)-3-(4-Hydroxyphenyl)-1-[2-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one |
| PCNDIDOT0205 |
| Pubchem CID : 14327425 |
| 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|(E)-3-(4-Hydroxyphenyl)-1-[2-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one|(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 |
| Structure | |
| 3D structure | 2D structure |
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| 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 |