[2-(7-Methoxy-2,2-dimethylchromen-6-yl)-2-oxoethyl] acetate
| Internal ID | 2abe5e43-1d3f-44eb-ad7b-1e0f30e20c00 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > 2,2-dimethyl-1-benzopyrans |
| IUPAC Name | [2-(7-methoxy-2,2-dimethylchromen-6-yl)-2-oxoethyl] acetate |
| SMILES (Canonical) | CC(=O)OCC(=O)C1=C(C=C2C(=C1)C=CC(O2)(C)C)OC |
| SMILES (Isomeric) | CC(=O)OCC(=O)C1=C(C=C2C(=C1)C=CC(O2)(C)C)OC |
| InChI | InChI=1S/C16H18O5/c1-10(17)20-9-13(18)12-7-11-5-6-16(2,3)21-14(11)8-15(12)19-4/h5-8H,9H2,1-4H3 |
| InChI Key | OIZWLOXWMAUGPW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H18O5 |
| Molecular Weight | 290.31 g/mol |
| Exact Mass | 290.11542367 g/mol |
| Topological Polar Surface Area (TPSA) | 61.80 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of [2-(7-Methoxy-2,2-dimethylchromen-6-yl)-2-oxoethyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/2-7-methoxy-22-dimethylchromen-6-yl-2-oxoethyl-acetate.jpg "2D Structure of [2-(7-Methoxy-2,2-dimethylchromen-6-yl)-2-oxoethyl] 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.42% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.40% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.31% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.18% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.88% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.48% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.50% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.30% | 99.17% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 86.98% | 89.50% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.55% | 94.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.67% | 83.82% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.42% | 98.75% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.15% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.90% | 89.00% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 82.42% | 87.67% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.39% | 96.77% |
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.
| Calea morii |
| Calea sickii |
| PubChem | 162857826 |
| LOTUS | LTS0146512 |
| wikiData | Q105192942 |