| Phytochemical Name : 6''-O-Malonylgenistin |
| PCNDIDOT1006 |
| Pubchem CID : 15934091 |
| Molecular formula: C24H22O13 |
| Canonical SMILES : C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)O)O)O |
Synonymes : Malonylgenistin|6''-O-MALONYLGENISTIN|51011-05-3|Genistin Malonate|Genistin 6''-O-Malonate|6-O-Malonylgenistin'|7-O-Glucosyl-6''-malonyl Genistein|2AUB85VT2K|CHEBI:80372|3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid|Malonyl genistin (constituent of soy isoflavones) [DSC]|malonyl genistin|6''-Malonylgenistin|5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-(carboxylatoacetyl)hexopyranoside|Malonyl-genistin|6-O-Malonylgenistin|UNII-2AUB85VT2K|MEGxp0_000226|CHEMBL3426722|ACon0_001356|6'-O-Malonylgenistin, Free Acid|DTXSID201316854|HY-N0917|CS-4241|MS-29612|Genistein-7-o-beta-D-glucosyl-6''-o-malonate|genistein 7-O-beta-D-glucoside 6''-O-malonate|Genistein 7-O-beta-d-glucoside-6''-O-malonate|Q27149379|GENISTEIN-7-O-.BETA.-D-GLUCOSYL-6''-O-MALONATE|5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 6-O-(carboxyacetyl)-beta-D-glucopyranoside|PROPANEDIOIC ACID, 6'-ESTER WITH 7-(.BETA.-D-GLUCOPYRANOSYLOXY)-5-HYDROXY-3-(4-HYDROXYPHENYL)-4H-1-BENZOPYRAN-4-ONE|Propanedioic acid, 6'-ester with 7-(beta-D-glucopyranosyloxy)-5-hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 1.570 |
| Log Po/w (XLOGP3) : 0.580 |
| Log Po/w (WLOGP) : 0.080 |
| Log Po/w (MLOGP) : -1.750 |
| Log Po/w (SILICOS-IT) : 0.200 |
| Consensus Log Po/w : 0.130 |

