(2E,7E,9E)-11-ethoxy-6-hydroxy-N-(2-hydroxy-2-methylpropyl)dodeca-2,7,9-trienamide
| Internal ID | 4683c245-ddc9-43f8-b5b2-d6287237dcf3 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty amides > N-acyl amines |
| IUPAC Name | (2E,7E,9E)-11-ethoxy-6-hydroxy-N-(2-hydroxy-2-methylpropyl)dodeca-2,7,9-trienamide |
| SMILES (Canonical) | CCOC(C)C=CC=CC(CCC=CC(=O)NCC(C)(C)O)O |
| SMILES (Isomeric) | CCOC(C)/C=C/C=C/C(CC/C=C/C(=O)NCC(C)(C)O)O |
| InChI | InChI=1S/C18H31NO4/c1-5-23-15(2)10-6-7-11-16(20)12-8-9-13-17(21)19-14-18(3,4)22/h6-7,9-11,13,15-16,20,22H,5,8,12,14H2,1-4H3,(H,19,21)/b10-6+,11-7+,13-9+ |
| InChI Key | OZMRSUOXUTZPNR-KZHHGSSRSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H31NO4 |
| Molecular Weight | 325.40 g/mol |
| Exact Mass | 325.22530847 g/mol |
| Topological Polar Surface Area (TPSA) | 78.80 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.84% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.76% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.00% | 96.09% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 93.36% | 89.34% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.49% | 99.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 92.41% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.40% | 97.25% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 88.92% | 97.29% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.06% | 96.47% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.08% | 94.73% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 86.71% | 95.71% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.22% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.64% | 94.45% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.62% | 93.56% |
| CHEMBL236 | P41143 | Delta opioid receptor | 85.40% | 99.35% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 84.25% | 82.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.87% | 94.33% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.38% | 89.50% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.16% | 98.75% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.80% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.26% | 91.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.01% | 90.71% |
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.
| Zanthoxylum bungeanum |
| PubChem | 127025456 |
| LOTUS | LTS0185812 |
| wikiData | Q104195292 |