5-O-Methylgenistein diacetate
| Internal ID | 1325aece-3060-4a75-83a9-85e5a02d04ef |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflav-2-enes > Isoflavones |
| IUPAC Name | [4-(7-acetyloxy-5-methoxy-4-oxochromen-3-yl)phenyl] acetate |
| SMILES (Canonical) | CC(=O)OC1=CC=C(C=C1)C2=COC3=C(C2=O)C(=CC(=C3)OC(=O)C)OC |
| SMILES (Isomeric) | CC(=O)OC1=CC=C(C=C1)C2=COC3=C(C2=O)C(=CC(=C3)OC(=O)C)OC |
| InChI | InChI=1S/C20H16O7/c1-11(21)26-14-6-4-13(5-7-14)16-10-25-18-9-15(27-12(2)22)8-17(24-3)19(18)20(16)23/h4-10H,1-3H3 |
| InChI Key | BTDZTSQJLRJDTG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H16O7 |
| Molecular Weight | 368.30 g/mol |
| Exact Mass | 368.08960285 g/mol |
| Topological Polar Surface Area (TPSA) | 88.10 Ų |
| XlogP | 2.70 |
| BTDZTSQJLRJDTG-UHFFFAOYSA-N |
| 4-[7-(Acetyloxy)-5-methoxy-4-oxo-4H-chromen-3-yl]phenyl acetate # |
| 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 | 97.85% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.42% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.39% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.17% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.87% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.47% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.74% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.28% | 85.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.07% | 99.17% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 85.10% | 97.28% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 84.81% | 86.92% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.54% | 92.62% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 83.64% | 93.31% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 83.13% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.99% | 96.00% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 82.52% | 81.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.01% | 90.00% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.26% | 95.78% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.25% | 90.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.20% | 91.19% |
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.
| Laburnum alpinum |
| PubChem | 625157 |
| LOTUS | LTS0132254 |
| wikiData | Q104945553 |