(3S)-5-methoxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]quinolin-3-ol
| Internal ID | ffd1ef65-053b-4b09-aa17-87cda49fada2 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Pyranoquinolines |
| IUPAC Name | (3S)-5-methoxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]quinolin-3-ol |
| SMILES (Canonical) | CC1(C(CC2=C(C3=CC=CC=C3N=C2O1)OC)O)C |
| SMILES (Isomeric) | CC1([C@H](CC2=C(C3=CC=CC=C3N=C2O1)OC)O)C |
| InChI | InChI=1S/C15H17NO3/c1-15(2)12(17)8-10-13(18-3)9-6-4-5-7-11(9)16-14(10)19-15/h4-7,12,17H,8H2,1-3H3/t12-/m0/s1 |
| InChI Key | SQJURFQZMPUMRB-LBPRGKRZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H17NO3 |
| Molecular Weight | 259.30 g/mol |
| Exact Mass | 259.12084340 g/mol |
| Topological Polar Surface Area (TPSA) | 51.60 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of (3S)-5-methoxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]quinolin-3-ol](https://plantaedb.com/storage/docs/compounds/2023/11/3s-5-methoxy-22-dimethyl-34-dihydropyrano23-bquinolin-3-ol.jpg "2D Structure of (3S)-5-methoxy-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.68% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.46% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.98% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.99% | 86.33% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 91.92% | 89.44% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.80% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.28% | 90.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.49% | 99.23% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.03% | 92.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.05% | 94.00% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 82.48% | 95.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 80.98% | 94.62% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 80.26% | 85.49% |
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.
| Citrus maxima |
| Geijera balansae |
| Melicope semecarpifolia |
| PubChem | 11086467 |
| LOTUS | LTS0049636 |
| wikiData | Q104402790 |