(6S)-6-hydroxy-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]octan-1-one
| Internal ID | c253417a-d838-4ed1-8336-88fbe05b5212 |
| Taxonomy | Organoheterocyclic compounds > Pyridines and derivatives > Pyrrolidinylpyridines |
| IUPAC Name | (6S)-6-hydroxy-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]octan-1-one |
| SMILES (Canonical) | CCC(CCCCC(=O)N1CCCC1C2=CN=CC=C2)O |
| SMILES (Isomeric) | CC[C@@H](CCCCC(=O)N1CCC[C@@H]1C2=CN=CC=C2)O |
| InChI | InChI=1S/C17H26N2O2/c1-2-15(20)8-3-4-10-17(21)19-12-6-9-16(19)14-7-5-11-18-13-14/h5,7,11,13,15-16,20H,2-4,6,8-10,12H2,1H3/t15-,16+/m0/s1 |
| InChI Key | NVHSWPFVLXRSOI-JKSUJKDBSA-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 (6S)-6-hydroxy-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]octan-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/6s-6-hydroxy-1-2r-2-pyridin-3-ylpyrrolidin-1-yloctan-1-one.jpg "2D Structure of (6S)-6-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 | 99.45% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.36% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.73% | 97.25% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 93.66% | 99.18% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.51% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.82% | 97.09% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 89.56% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.40% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.18% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.10% | 94.45% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 87.78% | 98.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.62% | 95.89% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.76% | 93.56% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 83.42% | 91.24% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.00% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.50% | 99.17% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.27% | 82.38% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 80.82% | 97.50% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.57% | 82.69% |
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 | 163084502 |
| LOTUS | LTS0057197 |
| wikiData | Q105186241 |