(E,4S,5S)-4,5-dihydroxy-N-(2-methylpropyl)dec-2-enamide
| Internal ID | a6e5a0bd-9d3a-4478-9963-b1021ae50ea4 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Polyols > 1,2-diols |
| IUPAC Name | (E,4S,5S)-4,5-dihydroxy-N-(2-methylpropyl)dec-2-enamide |
| SMILES (Canonical) | CCCCCC(C(C=CC(=O)NCC(C)C)O)O |
| SMILES (Isomeric) | CCCCC[C@@H]([C@H](/C=C/C(=O)NCC(C)C)O)O |
| InChI | InChI=1S/C14H27NO3/c1-4-5-6-7-12(16)13(17)8-9-14(18)15-10-11(2)3/h8-9,11-13,16-17H,4-7,10H2,1-3H3,(H,15,18)/b9-8+/t12-,13-/m0/s1 |
| InChI Key | GKAGMQMUZOEEEM-TYDXBBDOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H27NO3 |
| Molecular Weight | 257.37 g/mol |
| Exact Mass | 257.19909372 g/mol |
| Topological Polar Surface Area (TPSA) | 69.60 Ų |
| XlogP | 2.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 98.59% | 97.29% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.42% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.05% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 93.53% | 93.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 93.22% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.41% | 99.17% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 91.81% | 89.63% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 91.30% | 89.34% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 90.88% | 100.00% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 90.64% | 85.94% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 90.06% | 92.86% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.45% | 97.25% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.76% | 94.73% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 87.18% | 95.71% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 85.17% | 87.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.23% | 90.71% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 83.79% | 82.50% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.79% | 96.47% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.76% | 98.75% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.51% | 94.33% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.30% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.75% | 90.17% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 80.65% | 92.29% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.08% | 91.24% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.06% | 96.00% |
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.
| Piper nigrum |
| Piper sylvaticum |
| PubChem | 162925995 |
| LOTUS | LTS0188471 |
| wikiData | Q105009707 |