3-hydroxy-N-[2-hydroxy-6-[(3-methylbutanoylamino)methyl]oxan-3-yl]quinoline-2-carboxamide
| Internal ID | fffe1276-3a05-46c3-b756-f2fdd943af02 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Quinoline carboxamides |
| IUPAC Name | 3-hydroxy-N-[2-hydroxy-6-[(3-methylbutanoylamino)methyl]oxan-3-yl]quinoline-2-carboxamide |
| SMILES (Canonical) | CC(C)CC(=O)NCC1CCC(C(O1)O)NC(=O)C2=NC3=CC=CC=C3C=C2O |
| SMILES (Isomeric) | CC(C)CC(=O)NCC1CCC(C(O1)O)NC(=O)C2=NC3=CC=CC=C3C=C2O |
| InChI | InChI=1S/C21H27N3O5/c1-12(2)9-18(26)22-11-14-7-8-16(21(28)29-14)24-20(27)19-17(25)10-13-5-3-4-6-15(13)23-19/h3-6,10,12,14,16,21,25,28H,7-9,11H2,1-2H3,(H,22,26)(H,24,27) |
| InChI Key | DFAGWXVWJYTEEG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H27N3O5 |
| Molecular Weight | 401.50 g/mol |
| Exact Mass | 401.19507097 g/mol |
| Topological Polar Surface Area (TPSA) | 121.00 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of 3-hydroxy-N-[2-hydroxy-6-[(3-methylbutanoylamino)methyl]oxan-3-yl]quinoline-2-carboxamide](https://plantaedb.com/storage/docs/compounds/2023/11/3-hydroxy-n-2-hydroxy-6-3-methylbutanoylaminomethyloxan-3-ylquinoline-2-carboxamide.jpg "2D Structure of 3-hydroxy-N-[2-hydroxy-6-[(3-methylbutanoylamino)methyl]oxan-3-yl]quinoline-2-carboxamide")
| 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 | 98.78% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.81% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.76% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.54% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.20% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.82% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.68% | 99.23% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 89.55% | 87.67% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.32% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.94% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.30% | 95.56% |
| CHEMBL262 | P49841 | Glycogen synthase kinase-3 beta | 85.98% | 95.72% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.93% | 96.00% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 85.22% | 89.33% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 84.38% | 85.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.20% | 99.15% |
| CHEMBL5028 | O14672 | ADAM10 | 81.70% | 97.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.66% | 93.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.28% | 98.75% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 80.30% | 98.33% |
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.
| There are no matching plants. |
| PubChem | 163018807 |
| LOTUS | LTS0119152 |
| wikiData | Q103818326 |