Methyl 8-ethyl-9-hydroxy-2,4,4,7-tetramethyl-3,5,10-trioxobenzo[g]chromene-2-carboxylate
| Internal ID | efe9957b-2595-40e4-9111-6fed546a7a97 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans > Naphthopyranones |
| IUPAC Name | methyl 8-ethyl-9-hydroxy-2,4,4,7-tetramethyl-3,5,10-trioxobenzo[g]chromene-2-carboxylate |
| SMILES (Canonical) | CCC1=C(C2=C(C=C1C)C(=O)C3=C(C2=O)OC(C(=O)C3(C)C)(C)C(=O)OC)O |
| SMILES (Isomeric) | CCC1=C(C2=C(C=C1C)C(=O)C3=C(C2=O)OC(C(=O)C3(C)C)(C)C(=O)OC)O |
| InChI | InChI=1S/C21H22O7/c1-7-10-9(2)8-11-12(14(10)22)16(24)17-13(15(11)23)20(3,4)18(25)21(5,28-17)19(26)27-6/h8,22H,7H2,1-6H3 |
| InChI Key | AWPSWILWXHEXFW-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H22O7 |
| Molecular Weight | 386.40 g/mol |
| Exact Mass | 386.13655304 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 3.80 |
| SCHEMBL2027450 |
![2D Structure of Methyl 8-ethyl-9-hydroxy-2,4,4,7-tetramethyl-3,5,10-trioxobenzo[g]chromene-2-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-8-ethyl-9-hydroxy-2447-tetramethyl-3510-trioxobenzogchromene-2-carboxylate.jpg "2D Structure of Methyl 8-ethyl-9-hydroxy-2,4,4,7-tetramethyl-3,5,10-trioxobenzo[g]chromene-2-carboxylate")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase |
120 nM |
Ki |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.86% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.01% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.20% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.15% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.91% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.74% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.20% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.85% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.67% | 86.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.67% | 91.07% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.14% | 96.00% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 84.26% | 80.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.32% | 90.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 83.03% | 96.21% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.59% | 97.28% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.25% | 99.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.63% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.61% | 98.75% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.65% | 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.
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| There are no matching plants. |
| PubChem | 16059788 |
| LOTUS | LTS0075903 |
| wikiData | Q104920197 |