1-O-beta-GLUCOPYRANOSYL-(2S,3R,8Z)-2-N-((2'R)-HYDROXYPALMITOYL)-8-SPHINGENINE
| Internal ID | f960cccd-02e7-4ea3-a0ee-a935168db8dc |
| Taxonomy | Lipids and lipid-like molecules > Sphingolipids > Glycosphingolipids |
| IUPAC Name | (2R)-2-hydroxy-N-[(Z,2S,3R)-3-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-8-en-2-yl]hexadecanamide |
| SMILES (Canonical) | CCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(CCCCC=CCCCCCCCCC)O)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCC[C@H](C(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H](CCCC/C=C\CCCCCCCCC)O)O |
| InChI | InChI=1S/C40H77NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,32-38,40,42-47H,3-18,21-31H2,1-2H3,(H,41,48)/b20-19-/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1 |
| InChI Key | NJXYDZDDOCQODQ-FCAPPQLESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C40H77NO9 |
| Molecular Weight | 716.00 g/mol |
| Exact Mass | 715.55983303 g/mol |
| Topological Polar Surface Area (TPSA) | 169.00 Ų |
| XlogP | 10.10 |
| 136599-18-3 |
| 1-o-beta-Glucopyranosyl-(2S,3R,8Z)-2-N-((2'R)-hydroxypalmitoyl)-8-sphingenine |
| (2R)-N-((1S,2R,7Z)-1-((beta-D-Glucopyranosyloxy)methyl)-2-hydroxy-7-heptadecen-1-yl)-2-hydroxyhexadecanamide |
| Glucosyl ceramide, 1-o-beta-glucopyranosyl-(2S,3R,8Z)-2-N-((2'R)-hydroxypalmitoyl)-8-sphingenine- |
| Hexadecanamide, N-((1S,2R,7Z)-1-((beta-D-glucopyranosyloxy)methyl)-2-hydroxy-7-heptadecen-1-yl)-2-hydroxy-, (2R)- |
| UNII-J89NGX3TRN |
| 1-O-.BETA.-GLUCOPYRANOSYL-(2S,3R,8Z)-2-N-((2'R)-HYDROXYPALMITOYL)-8-SPHINGENINE |
| (2R)-N-((1S,2R,7Z)-1-((.BETA.-D-GLUCOPYRANOSYLOXY)METHYL)-2-HYDROXY-7-HEPTADECEN-1-YL)-2-HYDROXYHEXADECANAMIDE |
| GLUCOSYL CERAMIDE, 1-O-.BETA.-GLUCOPYRANOSYL-(2S,3R,8Z)-2-N-((2'R)-HYDROXYPALMITOYL)-8-SPHINGENINE- |
| HEXADECANAMIDE, N-((1S,2R,7Z)-1-((.BETA.-D-GLUCOPYRANOSYLOXY)METHYL)-2-HYDROXY-7-HEPTADECEN-1-YL)-2-HYDROXY-, (2R)- |
| 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 | 98.89% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.57% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 97.41% | 97.29% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 96.93% | 92.86% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.66% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 94.75% | 93.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.36% | 91.11% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 93.10% | 92.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 90.63% | 100.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 90.58% | 91.24% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 90.45% | 96.47% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.23% | 83.82% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.97% | 94.73% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.79% | 92.08% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 88.68% | 94.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.79% | 90.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.13% | 96.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.49% | 100.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.95% | 89.34% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.90% | 96.95% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 85.16% | 85.94% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 84.63% | 91.81% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 83.45% | 89.63% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 83.38% | 94.66% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 83.22% | 82.50% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 82.51% | 95.71% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 81.97% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.57% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.27% | 89.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.76% | 96.90% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 80.23% | 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.
| Capsicum annuum |
| PubChem | 162623606 |
| LOTUS | LTS0123870 |
| wikiData | Q105180375 |