1-(4-Ethoxy-3-hydroxy-5,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanone
| Internal ID | a7f0cc3e-d203-425a-831e-db260fae6d23 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > 2,2-dimethyl-1-benzopyrans |
| IUPAC Name | 1-(4-ethoxy-3-hydroxy-5,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanone |
| SMILES (Canonical) | CCOC1C(C(OC2=CC(=C(C(=C12)OC)C(=O)C)OC)(C)C)O |
| SMILES (Isomeric) | CCOC1C(C(OC2=CC(=C(C(=C12)OC)C(=O)C)OC)(C)C)O |
| InChI | InChI=1S/C17H24O6/c1-7-22-15-13-11(23-17(3,4)16(15)19)8-10(20-5)12(9(2)18)14(13)21-6/h8,15-16,19H,7H2,1-6H3 |
| InChI Key | HIJWQLHNJLPEFB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H24O6 |
| Molecular Weight | 324.40 g/mol |
| Exact Mass | 324.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 74.20 Ų |
| XlogP | 1.30 |
| 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 | 98.35% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.14% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.40% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.44% | 85.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.88% | 92.62% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.86% | 92.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.48% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.98% | 89.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 87.92% | 89.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.22% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.89% | 94.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.33% | 91.19% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.27% | 95.89% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.47% | 96.95% |
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.
| Melicope pteleifolia |
| Zea mays |
| PubChem | 15383039 |
| LOTUS | LTS0213718 |
| wikiData | Q105150841 |