(7S)-7-hydroxy-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]octan-1-one
| Internal ID | b3b0d673-fe72-456f-8b2d-0319fcf81e40 |
| Taxonomy | Organoheterocyclic compounds > Pyridines and derivatives > Pyrrolidinylpyridines |
| IUPAC Name | (7S)-7-hydroxy-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]octan-1-one |
| SMILES (Canonical) | CC(CCCCCC(=O)N1CCCC1C2=CN=CC=C2)O |
| SMILES (Isomeric) | C[C@@H](CCCCCC(=O)N1CCC[C@@H]1C2=CN=CC=C2)O |
| InChI | InChI=1S/C17H26N2O2/c1-14(20)7-3-2-4-10-17(21)19-12-6-9-16(19)15-8-5-11-18-13-15/h5,8,11,13-14,16,20H,2-4,6-7,9-10,12H2,1H3/t14-,16+/m0/s1 |
| InChI Key | AAIYOWLBULBBDR-GOEBONIOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H26N2O2 |
| Molecular Weight | 290.40 g/mol |
| Exact Mass | 290.199428076 g/mol |
| Topological Polar Surface Area (TPSA) | 53.40 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of (7S)-7-hydroxy-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]octan-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/7s-7-hydroxy-1-2r-2-pyridin-3-ylpyrrolidin-1-yloctan-1-one.jpg "2D Structure of (7S)-7-hydroxy-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]octan-1-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 | 99.32% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.44% | 98.95% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 93.22% | 99.18% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.30% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.89% | 90.71% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 90.00% | 98.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.78% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.54% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.26% | 95.89% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.15% | 93.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.50% | 83.82% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 87.21% | 96.25% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 85.01% | 92.97% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.60% | 95.89% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.77% | 100.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.59% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.91% | 86.33% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.97% | 93.03% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.83% | 99.17% |
| CHEMBL1907589 | P17787 | Neuronal acetylcholine receptor; alpha4/beta2 | 80.50% | 94.55% |
| CHEMBL274 | P51681 | C-C chemokine receptor type 5 | 80.43% | 98.77% |
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.
| Nicotiana tabacum |
| PubChem | 162934668 |
| LOTUS | LTS0230567 |
| wikiData | Q104907945 |