12-[(2R,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]dodecanoic acid
| Internal ID | 7723ab53-0bbe-4a71-b1b5-28829c70f88b |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids |
| IUPAC Name | 12-[(2R,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]dodecanoic acid |
| SMILES (Canonical) | CC1C(CCC(N1)CCCCCCCCCCCC(=O)O)O |
| SMILES (Isomeric) | C[C@H]1[C@H](CC[C@H](N1)CCCCCCCCCCCC(=O)O)O |
| InChI | InChI=1S/C18H35NO3/c1-15-17(20)14-13-16(19-15)11-9-7-5-3-2-4-6-8-10-12-18(21)22/h15-17,19-20H,2-14H2,1H3,(H,21,22)/t15-,16+,17-/m0/s1 |
| InChI Key | WNTPYSGBPUIOAG-BBWFWOEESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H35NO3 |
| Molecular Weight | 313.50 g/mol |
| Exact Mass | 313.26169398 g/mol |
| Topological Polar Surface Area (TPSA) | 69.60 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of 12-[(2R,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]dodecanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/12-2r5s6s-5-hydroxy-6-methylpiperidin-2-yldodecanoic-acid.jpg "2D Structure of 12-[(2R,5S,6S)-5-hydroxy-6-methylpiperidin-2-yl]dodecanoic acid")
| 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 | 98.76% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.59% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.51% | 98.95% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 94.63% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.83% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.65% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.29% | 91.11% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.13% | 95.50% |
| CHEMBL4374 | Q9Y5X4 | Photoreceptor-specific nuclear receptor | 84.29% | 85.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.81% | 93.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.84% | 91.19% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.80% | 92.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.51% | 94.45% |
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.
| Prosopis cineraria |
| PubChem | 101680810 |
| LOTUS | LTS0114100 |
| wikiData | Q104398821 |