1-(7-Methoxy-2,2-dimethylchromen-6-yl)ethyl 2-methylbutanoate
| Internal ID | 15260687-e63a-485a-9252-5908d1b589f2 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > 2,2-dimethyl-1-benzopyrans |
| IUPAC Name | 1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl 2-methylbutanoate |
| SMILES (Canonical) | CCC(C)C(=O)OC(C)C1=C(C=C2C(=C1)C=CC(O2)(C)C)OC |
| SMILES (Isomeric) | CCC(C)C(=O)OC(C)C1=C(C=C2C(=C1)C=CC(O2)(C)C)OC |
| InChI | InChI=1S/C19H26O4/c1-7-12(2)18(20)22-13(3)15-10-14-8-9-19(4,5)23-16(14)11-17(15)21-6/h8-13H,7H2,1-6H3 |
| InChI Key | WZARJDNCMPIIMI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H26O4 |
| Molecular Weight | 318.40 g/mol |
| Exact Mass | 318.18310931 g/mol |
| Topological Polar Surface Area (TPSA) | 44.80 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
| 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 | 98.53% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.06% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.61% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.38% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.76% | 98.95% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 88.34% | 89.50% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.18% | 96.77% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.39% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.33% | 96.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.90% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.60% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.10% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.11% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.60% | 89.00% |
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.
| Centromadia fitchii |
| PubChem | 163049359 |
| LOTUS | LTS0122393 |
| wikiData | Q105322917 |