N-[(2R,3S,4R)-3,4-dihydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]hexacosanamide
| Internal ID | 269bdc2d-90bb-42fa-a1d3-f746e4f5832b |
| Taxonomy | Lipids and lipid-like molecules > Sphingolipids > Glycosphingolipids |
| IUPAC Name | N-[(2R,3S,4R)-3,4-dihydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]hexacosanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C50H99NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-45(54)51-42(41-59-50-49(58)48(57)47(56)44(40-52)60-50)46(55)43(53)38-36-34-32-30-28-16-14-12-10-8-6-4-2/h42-44,46-50,52-53,55-58H,3-41H2,1-2H3,(H,51,54)/t42-,43-,44-,46+,47-,48+,49-,50-/m1/s1 |
| InChI Key | VQFKFAKEUMHBLV-DFQWGXFLSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C50H99NO9 |
| Molecular Weight | 858.30 g/mol |
| Exact Mass | 857.73198374 g/mol |
| Topological Polar Surface Area (TPSA) | 169.00 Ų |
| XlogP | 16.00 |
| There are no found synonyms. |
![2D Structure of N-[(2R,3S,4R)-3,4-dihydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]hexacosanamide](https://plantaedb.com/storage/docs/compounds/2023/11/b57769c0-85bd-11ee-910a-5d964f0eb00d.jpg "2D Structure of N-[(2R,3S,4R)-3,4-dihydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]hexacosanamide")
| 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 | 99.62% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.55% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.50% | 99.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 97.45% | 97.29% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.48% | 96.09% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 95.07% | 92.86% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 94.76% | 92.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.19% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.80% | 94.73% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.66% | 93.56% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 90.61% | 92.08% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 90.56% | 89.63% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 89.73% | 85.94% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.86% | 96.47% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 87.82% | 91.24% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 87.39% | 82.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.05% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.24% | 96.00% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 84.51% | 98.05% |
| CHEMBL256 | P0DMS8 | Adenosine A3 receptor | 84.39% | 95.93% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.38% | 94.33% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.64% | 100.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 83.49% | 91.81% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 82.40% | 98.03% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.12% | 95.89% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 81.58% | 95.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.29% | 95.50% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 80.64% | 100.00% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 80.55% | 96.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.47% | 96.61% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.16% | 97.09% |
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 | 162959619 |
| LOTUS | LTS0103092 |
| wikiData | Q105291218 |