(3R)-5,8,9-trimethoxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]quinolin-3-ol
| Internal ID | bfdb0bc4-8593-41ad-ae0e-321df4693cbe |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Pyranoquinolines |
| IUPAC Name | (3R)-5,8,9-trimethoxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]quinolin-3-ol |
| SMILES (Canonical) | CC1(C(CC2=C(C3=C(C(=C(C=C3)OC)OC)N=C2O1)OC)O)C |
| SMILES (Isomeric) | CC1([C@@H](CC2=C(C3=C(C(=C(C=C3)OC)OC)N=C2O1)OC)O)C |
| InChI | InChI=1S/C17H21NO5/c1-17(2)12(19)8-10-14(21-4)9-6-7-11(20-3)15(22-5)13(9)18-16(10)23-17/h6-7,12,19H,8H2,1-5H3/t12-/m1/s1 |
| InChI Key | BGCOBBAEYCPRSW-GFCCVEGCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H21NO5 |
| Molecular Weight | 319.40 g/mol |
| Exact Mass | 319.14197277 g/mol |
| Topological Polar Surface Area (TPSA) | 70.00 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of (3R)-5,8,9-trimethoxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]quinolin-3-ol](https://plantaedb.com/storage/docs/compounds/2023/07/3r-589-trimethoxy-22-dimethyl-34-dihydropyrano23-bquinolin-3-ol.jpg "2D Structure of (3R)-5,8,9-trimethoxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]quinolin-3-ol")
| 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 | 96.14% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.79% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.63% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.40% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.22% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.21% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.08% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.57% | 92.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.25% | 95.56% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.03% | 92.94% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.76% | 96.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.16% | 94.45% |
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.
| Ageratina saltillensis |
| Dictamnus dasycarpus |
| Esenbeckia hartmanii |
| Grewia villosa |
| Melicope semecarpifolia |
| Salta triflora |
| Salvia polystachya |
| Trifolium montanum |
| PubChem | 101132831 |
| NPASS | NPC115362 |
| LOTUS | LTS0079969 |
| wikiData | Q104935393 |