(E,2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxytetracosan-2-yl]octadec-4-enamide
| Internal ID | 6f734843-b587-4e3f-9a76-36d3e111b421 |
| Taxonomy | Lipids and lipid-like molecules > Sphingolipids > Ceramides > Long-chain ceramides |
| IUPAC Name | (E,2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxytetracosan-2-yl]octadec-4-enamide |
| SMILES (Canonical) | CCCCCCCCCCCCCCCCCCCCC(C(C(CO)NC(=O)C(CC=CCCCCCCCCCCCCC)O)O)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO)NC(=O)[C@@H](C/C=C/CCCCCCCCCCCCC)O)O)O |
| InChI | InChI=1S/C42H83NO5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-39(45)41(47)38(37-44)43-42(48)40(46)36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h32,34,38-41,44-47H,3-31,33,35-37H2,1-2H3,(H,43,48)/b34-32+/t38-,39+,40+,41-/m0/s1 |
| InChI Key | XMDDGZCHKXAWPD-ZMDUCPJPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C42H83NO5 |
| Molecular Weight | 682.10 g/mol |
| Exact Mass | 681.62712475 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 15.30 |
| There are no found synonyms. |
![2D Structure of (E,2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxytetracosan-2-yl]octadec-4-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/e2r-2-hydroxy-n-2s3s4r-134-trihydroxytetracosan-2-yloctadec-4-enamide.jpg "2D Structure of (E,2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxytetracosan-2-yl]octadec-4-enamide")
| 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 | 98.47% | 97.29% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.30% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.14% | 99.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 96.64% | 92.86% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 94.62% | 89.63% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.03% | 83.82% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 93.61% | 93.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.76% | 96.09% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 91.06% | 96.47% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 89.28% | 91.81% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 89.06% | 100.00% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 88.77% | 85.94% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 88.65% | 100.00% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 87.27% | 95.71% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 85.96% | 98.03% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 85.86% | 92.08% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 85.32% | 98.75% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.12% | 89.34% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 83.87% | 97.00% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 83.68% | 94.66% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.43% | 96.95% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 82.80% | 87.45% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.75% | 100.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.63% | 91.24% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.92% | 94.73% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.36% | 94.33% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 81.33% | 86.67% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 81.21% | 95.58% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.54% | 96.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.20% | 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.
| Pancovia laurentii |
| PubChem | 50900011 |
| LOTUS | LTS0086060 |
| wikiData | Q105330656 |