(2R)-N-[(E,2S,3R,8S,9R)-3,8-dihydroxy-9-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-4-en-2-yl]-2-hydroxyhexadecanamide
| Internal ID | c3f2e616-5cbf-4f63-9da7-f53dae1fb3e5 |
| Taxonomy | Lipids and lipid-like molecules > Sphingolipids > Glycosphingolipids |
| IUPAC Name | (2R)-N-[(E,2S,3R,8S,9R)-3,8-dihydroxy-9-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-4-en-2-yl]-2-hydroxyhexadecanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C41H79NO10/c1-4-6-8-10-12-13-14-15-16-18-20-22-28-35(46)40(50)42-32(30-51-41-39(49)38(48)37(47)36(29-43)52-41)34(45)27-24-23-26-33(44)31(3)25-21-19-17-11-9-7-5-2/h24,27,31-39,41,43-49H,4-23,25-26,28-30H2,1-3H3,(H,42,50)/b27-24+/t31-,32+,33+,34-,35-,36-,37-,38+,39-,41-/m1/s1 |
| InChI Key | XDZZMBPLVSZPPN-NVWWUSECSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C41H79NO10 |
| Molecular Weight | 746.10 g/mol |
| Exact Mass | 745.57039772 g/mol |
| Topological Polar Surface Area (TPSA) | 189.00 Ų |
| XlogP | 9.30 |
| There are no found synonyms. |
![2D Structure of (2R)-N-[(E,2S,3R,8S,9R)-3,8-dihydroxy-9-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-4-en-2-yl]-2-hydroxyhexadecanamide](https://plantaedb.com/storage/docs/compounds/2023/11/13d5cd60-8766-11ee-a5df-313d72a0524a.jpg "2D Structure of (2R)-N-[(E,2S,3R,8S,9R)-3,8-dihydroxy-9-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-4-en-2-yl]-2-hydroxyhexadecanamide")
| 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 | 98.94% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 97.99% | 97.29% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 97.84% | 93.56% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 97.49% | 92.86% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.46% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.35% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.34% | 91.11% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 93.31% | 96.47% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 93.24% | 91.24% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 91.89% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.82% | 94.73% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 91.68% | 92.50% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 91.66% | 92.08% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 91.04% | 94.33% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 90.16% | 85.94% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 89.23% | 100.00% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 89.01% | 82.50% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 88.90% | 89.34% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.90% | 83.82% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.54% | 96.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.90% | 97.25% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 85.87% | 100.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 85.16% | 92.88% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 84.62% | 92.32% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.23% | 95.50% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.13% | 96.61% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 83.60% | 91.81% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 83.33% | 100.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.24% | 89.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.79% | 90.71% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.69% | 90.17% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 81.57% | 95.36% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.30% | 95.89% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 81.21% | 97.47% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.66% | 96.21% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 80.36% | 87.45% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.00% | 98.75% |
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 | 163026600 |
| LOTUS | LTS0133738 |
| wikiData | Q105326184 |