[3-(2-Acetyloxy-4-methoxyphenyl)-4-oxochromen-7-yl] acetate
| Internal ID | f348770e-ff09-4d81-9ca5-08bf2a952c1e |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 4-O-methylated isoflavonoids > 4-O-methylisoflavones |
| IUPAC Name | [3-(2-acetyloxy-4-methoxyphenyl)-4-oxochromen-7-yl] acetate |
| SMILES (Canonical) | CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=C(C=C(C=C3)OC)OC(=O)C |
| SMILES (Isomeric) | CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=C(C=C(C=C3)OC)OC(=O)C |
| InChI | InChI=1S/C20H16O7/c1-11(21)26-14-5-7-16-18(9-14)25-10-17(20(16)23)15-6-4-13(24-3)8-19(15)27-12(2)22/h4-10H,1-3H3 |
| InChI Key | MHJUFABULJTCLR-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 |
| There are no found synonyms. |
![2D Structure of [3-(2-Acetyloxy-4-methoxyphenyl)-4-oxochromen-7-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/3-2-acetyloxy-4-methoxyphenyl-4-oxochromen-7-yl-acetate.jpg "2D Structure of [3-(2-Acetyloxy-4-methoxyphenyl)-4-oxochromen-7-yl] 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 | 99.42% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.45% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.94% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.08% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.69% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.09% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.51% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.89% | 99.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.33% | 92.62% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.69% | 96.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.40% | 90.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.64% | 95.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.78% | 99.23% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 81.15% | 96.09% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 80.82% | 91.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.42% | 94.73% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.14% | 93.31% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.04% | 96.09% |
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.
| Dalbergia nitidula |
| PubChem | 163027001 |
| LOTUS | LTS0118817 |
| wikiData | Q105163843 |