6''-O-Malonyldaidzin
| Internal ID | 53eec46f-43a0-488e-970c-e3d248802e53 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavonoid O-glycosides |
| IUPAC Name | 3-oxo-3-[[3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid |
| SMILES (Canonical) | C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)O)O)O |
| InChI | InChI=1S/C24H22O12/c25-12-3-1-11(2-4-12)15-9-33-16-7-13(5-6-14(16)20(15)29)35-24-23(32)22(31)21(30)17(36-24)10-34-19(28)8-18(26)27/h1-7,9,17,21-25,30-32H,8,10H2,(H,26,27) |
| InChI Key | MTXMHWSVSZKYBT-UHFFFAOYSA-N |
| Popularity | 9 references in papers |
| Molecular Formula | C24H22O12 |
| Molecular Weight | 502.40 g/mol |
| Exact Mass | 502.11112613 g/mol |
| Topological Polar Surface Area (TPSA) | 189.00 Ų |
| XlogP | 0.40 |
| 3-oxo-3-[[3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid |
| 6''-O-MALONYLDAIDZIN |
| SCHEMBL20661593 |
| PD165368 |
| FT-0665453 |
| 7,4'-Dihydroxyisoflavone 7-O-(6''-malonylglucoside) |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.43% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.17% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 95.30% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.03% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.75% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.96% | 94.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 88.87% | 86.92% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 87.62% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.14% | 86.33% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 87.08% | 91.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.54% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.83% | 96.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.37% | 95.93% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.13% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.09% | 97.09% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 83.24% | 94.00% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 83.09% | 95.83% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.07% | 92.50% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.96% | 95.89% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 82.70% | 95.78% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 81.99% | 95.64% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.69% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.59% | 99.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.49% | 90.71% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Glycine max |
| Pueraria montana var. lobata |
| PubChem | 14500869 |
| LOTUS | LTS0211996 |
| wikiData | Q105171946 |