(2R,3R,6S)-6-[(11S)-11-hydroxydodecyl]-2-methylpiperidin-3-ol
| Internal ID | 1b0ac0a6-6226-4f5d-90a8-b060a49c8698 |
| Taxonomy | Alkaloids and derivatives |
| IUPAC Name | (2R,3R,6S)-6-[(11S)-11-hydroxydodecyl]-2-methylpiperidin-3-ol |
| SMILES (Canonical) | CC1C(CCC(N1)CCCCCCCCCCC(C)O)O |
| SMILES (Isomeric) | C[C@@H]1[C@@H](CC[C@@H](N1)CCCCCCCCCC[C@H](C)O)O |
| InChI | InChI=1S/C18H37NO2/c1-15(20)11-9-7-5-3-4-6-8-10-12-17-13-14-18(21)16(2)19-17/h15-21H,3-14H2,1-2H3/t15-,16+,17-,18+/m0/s1 |
| InChI Key | LWYXLXAMDLNBFQ-XWTMOSNGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H37NO2 |
| Molecular Weight | 299.50 g/mol |
| Exact Mass | 299.282429423 g/mol |
| Topological Polar Surface Area (TPSA) | 52.50 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of (2R,3R,6S)-6-[(11S)-11-hydroxydodecyl]-2-methylpiperidin-3-ol](https://plantaedb.com/storage/docs/compounds/2023/11/2r3r6s-6-11s-11-hydroxydodecyl-2-methylpiperidin-3-ol.jpg "2D Structure of (2R,3R,6S)-6-[(11S)-11-hydroxydodecyl]-2-methylpiperidin-3-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.31% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.41% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.95% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.49% | 97.25% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 93.34% | 97.29% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 92.98% | 97.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.93% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.40% | 85.14% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.36% | 97.79% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.74% | 100.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 86.66% | 90.08% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 86.50% | 95.92% |
| CHEMBL1907589 | P17787 | Neuronal acetylcholine receptor; alpha4/beta2 | 86.28% | 94.55% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 86.10% | 95.93% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.88% | 95.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.61% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.55% | 91.11% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 84.36% | 98.33% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.60% | 96.47% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 82.98% | 95.56% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 82.84% | 85.31% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.77% | 95.89% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 82.52% | 94.45% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 82.14% | 99.18% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.82% | 90.71% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.62% | 95.89% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 81.59% | 92.86% |
| CHEMBL3045 | P05771 | Protein kinase C beta | 80.69% | 97.63% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 80.44% | 87.45% |
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.
| Cassia leptophylla |
| PubChem | 101709556 |
| LOTUS | LTS0192578 |
| wikiData | Q105158682 |