(2R)-N-[(E,2S,3S,4R)-3,4-dihydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-6-en-2-yl]-2-hydroxydocosanamide
| Internal ID | f53b3fdb-5e4c-45b9-af6d-9c7dec769ee3 |
| Taxonomy | Lipids and lipid-like molecules > Sphingolipids > Glycosphingolipids |
| IUPAC Name | (2R)-N-[(E,2S,3S,4R)-3,4-dihydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-6-en-2-yl]-2-hydroxydocosanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C46H89NO10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-39(50)45(55)47-37(36-56-46-44(54)43(53)42(52)40(35-48)57-46)41(51)38(49)33-31-29-27-25-23-16-14-12-10-8-6-4-2/h29,31,37-44,46,48-54H,3-28,30,32-36H2,1-2H3,(H,47,55)/b31-29+/t37-,38+,39+,40+,41-,42+,43-,44+,46+/m0/s1 |
| InChI Key | VXGLFKRRMWCDPA-LOENUVCQSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C46H89NO10 |
| Molecular Weight | 816.20 g/mol |
| Exact Mass | 815.64864804 g/mol |
| Topological Polar Surface Area (TPSA) | 189.00 Ų |
| XlogP | 12.60 |
| There are no found synonyms. |
![2D Structure of (2R)-N-[(E,2S,3S,4R)-3,4-dihydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-6-en-2-yl]-2-hydroxydocosanamide](https://plantaedb.com/storage/docs/compounds/2023/11/a71e4620-85f9-11ee-ac37-052497d44ca6.jpg "2D Structure of (2R)-N-[(E,2S,3S,4R)-3,4-dihydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-6-en-2-yl]-2-hydroxydocosanamide")
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.87% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.59% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 97.98% | 97.29% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.82% | 83.82% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 96.79% | 92.86% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.55% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 95.02% | 93.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.91% | 91.11% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 91.76% | 92.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.02% | 94.73% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 90.61% | 85.94% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 90.30% | 100.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 88.75% | 91.24% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 87.49% | 92.08% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.41% | 96.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 87.05% | 94.33% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.90% | 96.47% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.68% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.36% | 96.95% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 84.15% | 82.50% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 84.14% | 91.81% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 83.83% | 95.58% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 83.48% | 97.47% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 82.88% | 98.05% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.46% | 98.75% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 81.99% | 100.00% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 81.48% | 96.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.38% | 96.90% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.03% | 92.88% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.97% | 89.00% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 80.82% | 95.71% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.58% | 95.89% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.02% | 97.21% |
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.
| There are no matching plants. |
| PubChem | 102480628 |
| LOTUS | LTS0218046 |
| wikiData | Q105298483 |