(3S,4R)-3,4-dihydroxy-7,8-dimethoxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one
| Internal ID | c01f1601-ec8f-401b-ab0f-daa6097571f3 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Pyranoquinolines |
| IUPAC Name | (3S,4R)-3,4-dihydroxy-7,8-dimethoxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one |
| SMILES (Canonical) | CC1(C(C(C2=C(O1)C3=C(C(=C(C=C3)OC)OC)N(C2=O)C)O)O)C |
| SMILES (Isomeric) | CC1([C@H]([C@@H](C2=C(O1)C3=C(C(=C(C=C3)OC)OC)N(C2=O)C)O)O)C |
| InChI | InChI=1S/C17H21NO6/c1-17(2)15(20)12(19)10-13(24-17)8-6-7-9(22-4)14(23-5)11(8)18(3)16(10)21/h6-7,12,15,19-20H,1-5H3/t12-,15+/m1/s1 |
| InChI Key | KXHMBKASJFMDCK-DOMZBBRYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H21NO6 |
| Molecular Weight | 335.40 g/mol |
| Exact Mass | 335.13688739 g/mol |
| Topological Polar Surface Area (TPSA) | 88.50 Ų |
| XlogP | 0.10 |
| There are no found synonyms. |
![2D Structure of (3S,4R)-3,4-dihydroxy-7,8-dimethoxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/3s4r-34-dihydroxy-78-dimethoxy-226-trimethyl-34-dihydropyrano32-cquinolin-5-one.jpg "2D Structure of (3S,4R)-3,4-dihydroxy-7,8-dimethoxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.35% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.33% | 83.82% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.31% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.01% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.50% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.59% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.10% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.61% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.82% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.26% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.69% | 91.11% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.67% | 92.62% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.41% | 96.43% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 14106217 |
| LOTUS | LTS0125296 |
| wikiData | Q105147335 |