N-[(2S,3S,4R,5R)-1,3,4,5-tetrahydroxytetracosan-2-yl]octadecanamide
| Internal ID | ad815c24-7959-476d-9db4-41f85770851d |
| Taxonomy | Lipids and lipid-like molecules > Sphingolipids > Ceramides > Phytoceramides |
| IUPAC Name | N-[(2S,3S,4R,5R)-1,3,4,5-tetrahydroxytetracosan-2-yl]octadecanamide |
| SMILES (Canonical) | CCCCCCCCCCCCCCCCCCCC(C(C(C(CO)NC(=O)CCCCCCCCCCCCCCCCC)O)O)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCCCCC[C@H]([C@H]([C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCCCCC)O)O)O |
| InChI | InChI=1S/C42H85NO5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-39(45)42(48)41(47)38(37-44)43-40(46)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h38-39,41-42,44-45,47-48H,3-37H2,1-2H3,(H,43,46)/t38-,39+,41-,42+/m0/s1 |
| InChI Key | VVGIYYKRAMHVLU-IJZDJDNXSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C42H85NO5 |
| Molecular Weight | 684.10 g/mol |
| Exact Mass | 683.64277481 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 15.40 |
| There are no found synonyms. |
![2D Structure of N-[(2S,3S,4R,5R)-1,3,4,5-tetrahydroxytetracosan-2-yl]octadecanamide](https://plantaedb.com/storage/docs/compounds/2023/11/n-2s3s4r5r-1345-tetrahydroxytetracosan-2-yloctadecanamide.jpg "2D Structure of N-[(2S,3S,4R,5R)-1,3,4,5-tetrahydroxytetracosan-2-yl]octadecanamide")
| 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 | 99.51% | 83.82% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 98.42% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.21% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 97.86% | 97.29% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.48% | 99.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 94.47% | 92.86% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.55% | 96.09% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 91.51% | 98.03% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 89.97% | 85.94% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 89.33% | 92.08% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.65% | 93.56% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 88.59% | 100.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 86.42% | 91.81% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.39% | 96.47% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.07% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.61% | 92.50% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 82.53% | 92.29% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 81.85% | 95.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.43% | 94.73% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.24% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.14% | 90.71% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.57% | 91.11% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 80.35% | 97.50% |
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.
| Newbouldia laevis |
| PubChem | 163083122 |
| LOTUS | LTS0206255 |
| wikiData | Q105297652 |