[4-[(2S)-7-acetyloxy-4-oxo-2,3-dihydrochromen-2-yl]phenyl] acetate
| Internal ID | 787a153b-ce5c-4159-aaba-ffea26db9d01 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > Flavanones |
| IUPAC Name | [4-[(2S)-7-acetyloxy-4-oxo-2,3-dihydrochromen-2-yl]phenyl] acetate |
| SMILES (Canonical) | CC(=O)OC1=CC=C(C=C1)C2CC(=O)C3=C(O2)C=C(C=C3)OC(=O)C |
| SMILES (Isomeric) | CC(=O)OC1=CC=C(C=C1)[C@@H]2CC(=O)C3=C(O2)C=C(C=C3)OC(=O)C |
| InChI | InChI=1S/C19H16O6/c1-11(20)23-14-5-3-13(4-6-14)18-10-17(22)16-8-7-15(24-12(2)21)9-19(16)25-18/h3-9,18H,10H2,1-2H3/t18-/m0/s1 |
| InChI Key | ZXYRFBJRBWNPSU-SFHVURJKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H16O6 |
| Molecular Weight | 340.30 g/mol |
| Exact Mass | 340.09468823 g/mol |
| Topological Polar Surface Area (TPSA) | 78.90 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of [4-[(2S)-7-acetyloxy-4-oxo-2,3-dihydrochromen-2-yl]phenyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/4-2s-7-acetyloxy-4-oxo-23-dihydrochromen-2-ylphenyl-acetate.jpg "2D Structure of [4-[(2S)-7-acetyloxy-4-oxo-2,3-dihydrochromen-2-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 | 98.33% | 91.11% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 95.62% | 92.51% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.41% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.87% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.81% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.84% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.54% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.54% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.53% | 89.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.25% | 90.71% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.45% | 94.80% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 84.79% | 95.71% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 84.29% | 97.53% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.80% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.23% | 99.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.93% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.18% | 95.89% |
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 | 163021013 |
| LOTUS | LTS0203869 |
| wikiData | Q105385924 |