(2E,7E,9E)-6,11-dihydroxy-N-(2-hydroxy-2-methylpropyl)dodeca-2,7,9-trienamide
| Internal ID | be7a679c-0cca-421a-8654-0303a441e4fb |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty amides > N-acyl amines |
| IUPAC Name | (2E,7E,9E)-6,11-dihydroxy-N-(2-hydroxy-2-methylpropyl)dodeca-2,7,9-trienamide |
| SMILES (Canonical) | CC(C=CC=CC(CCC=CC(=O)NCC(C)(C)O)O)O |
| SMILES (Isomeric) | CC(/C=C/C=C/C(CC/C=C/C(=O)NCC(C)(C)O)O)O |
| InChI | InChI=1S/C16H27NO4/c1-13(18)8-4-5-9-14(19)10-6-7-11-15(20)17-12-16(2,3)21/h4-5,7-9,11,13-14,18-19,21H,6,10,12H2,1-3H3,(H,17,20)/b8-4+,9-5+,11-7+ |
| InChI Key | CNYYBSBNBMDBMH-LPPZWSRQSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C16H27NO4 |
| Molecular Weight | 297.39 g/mol |
| Exact Mass | 297.19400834 g/mol |
| Topological Polar Surface Area (TPSA) | 89.80 Ų |
| XlogP | 0.60 |
| NSC795967 |
| NSC-795967 |
| 797789-27-6 |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.45% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.39% | 98.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 94.57% | 89.34% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 92.04% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.48% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.76% | 85.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.72% | 99.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.14% | 97.25% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 88.14% | 95.71% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.30% | 96.47% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.48% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.15% | 94.73% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.67% | 93.56% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 83.48% | 97.29% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.60% | 90.71% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.14% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.80% | 94.33% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.25% | 98.75% |
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 | 71720071 |
| LOTUS | LTS0047319 |
| wikiData | Q104966490 |