N-[(E,2S,3S)-1,3-dihydroxyheptadec-4-en-2-yl]hexanamide
| Internal ID | 7eb3c87b-8c20-4386-8a3c-c1d2bd59c041 |
| Taxonomy | Lipids and lipid-like molecules > Sphingolipids > Ceramides |
| IUPAC Name | N-[(E,2S,3S)-1,3-dihydroxyheptadec-4-en-2-yl]hexanamide |
| SMILES (Canonical) | CCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCC)O |
| SMILES (Isomeric) | CCCCCCCCCCCC/C=C/[C@@H]([C@H](CO)NC(=O)CCCCC)O |
| InChI | InChI=1S/C23H45NO3/c1-3-5-7-8-9-10-11-12-13-14-15-17-18-22(26)21(20-25)24-23(27)19-16-6-4-2/h17-18,21-22,25-26H,3-16,19-20H2,1-2H3,(H,24,27)/b18-17+/t21-,22-/m0/s1 |
| InChI Key | KDRQUXQQNFOTAO-TYMMGGBDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H45NO3 |
| Molecular Weight | 383.60 g/mol |
| Exact Mass | 383.33994430 g/mol |
| Topological Polar Surface Area (TPSA) | 69.60 Ų |
| XlogP | 6.90 |
| There are no found synonyms. |
![2D Structure of N-[(E,2S,3S)-1,3-dihydroxyheptadec-4-en-2-yl]hexanamide](https://plantaedb.com/storage/docs/compounds/2023/11/n-e2s3s-13-dihydroxyheptadec-4-en-2-ylhexanamide.jpg "2D Structure of N-[(E,2S,3S)-1,3-dihydroxyheptadec-4-en-2-yl]hexanamide")
| 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 |
|---|---|---|---|---|
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 99.32% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.75% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.62% | 99.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 96.68% | 97.29% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 94.91% | 92.86% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 94.78% | 92.08% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.92% | 93.56% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 91.23% | 85.94% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 88.78% | 98.03% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 88.47% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.09% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.93% | 90.17% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 86.88% | 91.81% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 86.60% | 86.67% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.29% | 91.11% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.15% | 96.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.15% | 89.34% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.90% | 94.33% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.70% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.21% | 96.47% |
| CHEMBL256 | P0DMS8 | Adenosine A3 receptor | 83.49% | 95.93% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 83.48% | 91.24% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.16% | 91.19% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 82.93% | 96.67% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.87% | 92.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.39% | 100.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.36% | 92.88% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 81.99% | 96.00% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 81.43% | 97.00% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 81.11% | 92.29% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.06% | 83.82% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.87% | 94.73% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 80.35% | 89.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.18% | 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.
| Erigeron canadensis |
| PubChem | 162871921 |
| LOTUS | LTS0196802 |
| wikiData | Q105139362 |