2-hydroxy-N-[3,4,5-trihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-6-en-2-yl]octacos-21-enamide
| Internal ID | 59a70f45-56ef-4736-b983-b34d21914cfa |
| Taxonomy | Lipids and lipid-like molecules > Sphingolipids > Glycosphingolipids |
| IUPAC Name | 2-hydroxy-N-[3,4,5-trihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-6-en-2-yl]octacos-21-enamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C52H99NO11/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-44(56)51(62)53-42(41-63-52-50(61)49(60)48(59)45(40-54)64-52)46(57)47(58)43(55)38-36-34-32-30-28-14-12-10-8-6-4-2/h13,15,36,38,42-50,52,54-61H,3-12,14,16-35,37,39-41H2,1-2H3,(H,53,62) |
| InChI Key | PFGBDILFOCIIDY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C52H99NO11 |
| Molecular Weight | 914.30 g/mol |
| Exact Mass | 913.72181297 g/mol |
| Topological Polar Surface Area (TPSA) | 209.00 Ų |
| XlogP | 13.80 |
| There are no found synonyms. |
![2D Structure of 2-hydroxy-N-[3,4,5-trihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-6-en-2-yl]octacos-21-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/f7053860-8633-11ee-b3df-054cb47a4124.jpg "2D Structure of 2-hydroxy-N-[3,4,5-trihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-6-en-2-yl]octacos-21-enamide")
| 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 | 98.91% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.67% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 97.21% | 97.29% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 97.13% | 92.86% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.84% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 96.74% | 93.56% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 94.21% | 92.08% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.38% | 91.11% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 91.96% | 91.24% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.91% | 94.73% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 91.34% | 92.50% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 90.94% | 96.47% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.74% | 90.17% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 90.63% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 90.01% | 94.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.37% | 96.00% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 88.16% | 82.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 88.04% | 100.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 87.55% | 91.81% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 87.33% | 89.63% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 87.12% | 85.94% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.16% | 89.34% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.86% | 96.95% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 82.47% | 95.71% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.43% | 92.88% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 81.70% | 100.00% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 81.69% | 96.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.60% | 95.50% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 80.93% | 95.58% |
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.
| Euphorbia characias subsp. wulfenii |
| PubChem | 163020635 |
| LOTUS | LTS0135661 |
| wikiData | Q105207721 |