3-Hydroxy-2,2,10-trimethyl-9-(3-methylbut-2-enoxy)-3,4-dihydropyrano[2,3-b]quinolin-5-one
| Internal ID | 51fc8251-fe15-4ace-a4d4-e0c1cd1e72b3 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Pyranoquinolines |
| IUPAC Name | 3-hydroxy-2,2,10-trimethyl-9-(3-methylbut-2-enoxy)-3,4-dihydropyrano[2,3-b]quinolin-5-one |
| SMILES (Canonical) | CC(=CCOC1=CC=CC2=C1N(C3=C(C2=O)CC(C(O3)(C)C)O)C)C |
| SMILES (Isomeric) | CC(=CCOC1=CC=CC2=C1N(C3=C(C2=O)CC(C(O3)(C)C)O)C)C |
| InChI | InChI=1S/C20H25NO4/c1-12(2)9-10-24-15-8-6-7-13-17(15)21(5)19-14(18(13)23)11-16(22)20(3,4)25-19/h6-9,16,22H,10-11H2,1-5H3 |
| InChI Key | ZXGRMAVFKLSCCZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H25NO4 |
| Molecular Weight | 343.40 g/mol |
| Exact Mass | 343.17835828 g/mol |
| Topological Polar Surface Area (TPSA) | 59.00 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of 3-Hydroxy-2,2,10-trimethyl-9-(3-methylbut-2-enoxy)-3,4-dihydropyrano[2,3-b]quinolin-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/3-hydroxy-2210-trimethyl-9-3-methylbut-2-enoxy-34-dihydropyrano23-bquinolin-5-one.jpg "2D Structure of 3-Hydroxy-2,2,10-trimethyl-9-(3-methylbut-2-enoxy)-3,4-dihydropyrano[2,3-b]quinolin-5-one")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.10% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.55% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.35% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.31% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.39% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.32% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.70% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.96% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.09% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.34% | 85.14% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.93% | 90.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.46% | 99.23% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.59% | 90.08% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.90% | 98.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.87% | 92.62% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 82.54% | 97.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.40% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.66% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.45% | 99.17% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.28% | 94.75% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.17% | 96.00% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 80.15% | 96.39% |
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.
| Skimmia laureola |
| PubChem | 162897479 |
| LOTUS | LTS0135157 |
| wikiData | Q104888673 |