(2S)-1-[(2R,6S)-6-[(2R)-2-hydroxypentyl]piperidin-2-yl]pentan-2-ol
| Internal ID | e0d7c23c-a1d0-4eae-a70e-36ba5af92be6 |
| Taxonomy | Organoheterocyclic compounds > Piperidines |
| IUPAC Name | (2S)-1-[(2R,6S)-6-[(2R)-2-hydroxypentyl]piperidin-2-yl]pentan-2-ol |
| SMILES (Canonical) | CCCC(CC1CCCC(N1)CC(CCC)O)O |
| SMILES (Isomeric) | CCC[C@H](C[C@@H]1CCC[C@@H](N1)C[C@H](CCC)O)O |
| InChI | InChI=1S/C15H31NO2/c1-3-6-14(17)10-12-8-5-9-13(16-12)11-15(18)7-4-2/h12-18H,3-11H2,1-2H3/t12-,13+,14+,15- |
| InChI Key | YASYAQIAFYRYBX-PYHGIMPFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H31NO2 |
| Molecular Weight | 257.41 g/mol |
| Exact Mass | 257.235479232 g/mol |
| Topological Polar Surface Area (TPSA) | 52.50 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of (2S)-1-[(2R,6S)-6-[(2R)-2-hydroxypentyl]piperidin-2-yl]pentan-2-ol](https://plantaedb.com/storage/docs/compounds/2023/11/2s-1-2r6s-6-2r-2-hydroxypentylpiperidin-2-ylpentan-2-ol.jpg "2D Structure of (2S)-1-[(2R,6S)-6-[(2R)-2-hydroxypentyl]piperidin-2-yl]pentan-2-ol")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.40% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.06% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.87% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.01% | 97.09% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 91.66% | 97.64% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 87.88% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.54% | 94.45% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.11% | 93.56% |
| CHEMBL4105838 | Q96GG9 | DCN1-like protein 1 | 85.40% | 95.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.70% | 83.82% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.54% | 100.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 83.34% | 92.88% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 82.65% | 97.23% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 82.52% | 95.58% |
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.
| Andrachne aspera |
| PubChem | 11021533 |
| LOTUS | LTS0256638 |
| wikiData | Q105345566 |