(2R)-2-hydroxy-21-methyl-N-[(2S,3S,4R)-1,3,4-trihydroxyhexadecan-2-yl]docosanamide
| Internal ID | f8508fc1-72f5-4de8-82d9-2c1d48d37da4 |
| Taxonomy | Lipids and lipid-like molecules > Sphingolipids > Ceramides > Phytoceramides |
| IUPAC Name | (2R)-2-hydroxy-21-methyl-N-[(2S,3S,4R)-1,3,4-trihydroxyhexadecan-2-yl]docosanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C39H79NO5/c1-4-5-6-7-8-9-19-22-25-28-31-36(42)38(44)35(33-41)40-39(45)37(43)32-29-26-23-20-17-15-13-11-10-12-14-16-18-21-24-27-30-34(2)3/h34-38,41-44H,4-33H2,1-3H3,(H,40,45)/t35-,36+,37+,38-/m0/s1 |
| InChI Key | MFYIXBKJCJSQFS-LQDUMDOSSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C39H79NO5 |
| Molecular Weight | 642.00 g/mol |
| Exact Mass | 641.59582462 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 13.90 |
| There are no found synonyms. |
![2D Structure of (2R)-2-hydroxy-21-methyl-N-[(2S,3S,4R)-1,3,4-trihydroxyhexadecan-2-yl]docosanamide](https://plantaedb.com/storage/docs/compounds/2023/11/2r-2-hydroxy-21-methyl-n-2s3s4r-134-trihydroxyhexadecan-2-yldocosanamide.jpg "2D Structure of (2R)-2-hydroxy-21-methyl-N-[(2S,3S,4R)-1,3,4-trihydroxyhexadecan-2-yl]docosanamide")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.82% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 98.66% | 97.29% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.62% | 83.82% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 97.42% | 92.86% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 95.41% | 93.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.39% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.03% | 99.17% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 92.96% | 89.63% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 91.44% | 100.00% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 91.06% | 87.45% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 90.55% | 96.47% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 89.02% | 98.05% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.50% | 96.38% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 88.39% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.41% | 90.71% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 86.58% | 91.24% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 86.55% | 98.03% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 86.10% | 92.08% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 86.01% | 91.81% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 83.79% | 90.24% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.86% | 96.95% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 82.72% | 85.94% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.54% | 94.73% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 82.39% | 97.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.99% | 100.00% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 81.59% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.30% | 94.33% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 81.25% | 95.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.30% | 94.45% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 80.09% | 94.66% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 11354206 |
| LOTUS | LTS0076762 |
| wikiData | Q105163112 |