(2R)-2-[(3R)-3-hydroxy-4-methylpentyl]-2,6-dimethylpyrano[3,2-c]quinolin-5-one
| Internal ID | 88a93943-baf1-470e-96a9-7cac71db4e5c |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Pyranoquinolines |
| IUPAC Name | (2R)-2-[(3R)-3-hydroxy-4-methylpentyl]-2,6-dimethylpyrano[3,2-c]quinolin-5-one |
| SMILES (Canonical) | CC(C)C(CCC1(C=CC2=C(O1)C3=CC=CC=C3N(C2=O)C)C)O |
| SMILES (Isomeric) | CC(C)[C@@H](CC[C@@]1(C=CC2=C(O1)C3=CC=CC=C3N(C2=O)C)C)O |
| InChI | InChI=1S/C20H25NO3/c1-13(2)17(22)10-12-20(3)11-9-15-18(24-20)14-7-5-6-8-16(14)21(4)19(15)23/h5-9,11,13,17,22H,10,12H2,1-4H3/t17-,20+/m1/s1 |
| InChI Key | HWFNEQJAINFFPD-XLIONFOSSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H25NO3 |
| Molecular Weight | 327.40 g/mol |
| Exact Mass | 327.18344366 g/mol |
| Topological Polar Surface Area (TPSA) | 49.80 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of (2R)-2-[(3R)-3-hydroxy-4-methylpentyl]-2,6-dimethylpyrano[3,2-c]quinolin-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/2r-2-3r-3-hydroxy-4-methylpentyl-26-dimethylpyrano32-cquinolin-5-one.jpg "2D Structure of (2R)-2-[(3R)-3-hydroxy-4-methylpentyl]-2,6-dimethylpyrano[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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.40% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.68% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.72% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.13% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.82% | 89.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 92.45% | 98.59% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.10% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.51% | 94.73% |
| CHEMBL240 | Q12809 | HERG | 85.93% | 89.76% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.55% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.03% | 99.23% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.38% | 90.08% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.93% | 96.47% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.38% | 90.17% |
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.
| Zanthoxylum simulans |
| PubChem | 162864468 |
| LOTUS | LTS0259146 |
| wikiData | Q105034639 |