N-[3,4-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracosan-2-yl]-2-hydroxyoctadec-4-enamide
| Internal ID | 7408482f-fe13-44e2-abaf-8e418a4cf795 |
| Taxonomy | Lipids and lipid-like molecules > Sphingolipids > Glycosphingolipids |
| IUPAC Name | N-[3,4-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracosan-2-yl]-2-hydroxyoctadec-4-enamide |
| SMILES (Canonical) | CCCCCCCCCCCCCCCCCCCCC(C(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)C(CC=CCCCCCCCCCCCCC)O)O)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCCCCCCC(C(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)C(CC=CCCCCCCCCCCCCC)O)O)O |
| InChI | InChI=1S/C48H93NO10/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-40(51)43(53)39(38-58-48-46(56)45(55)44(54)42(37-50)59-48)49-47(57)41(52)36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h32,34,39-46,48,50-56H,3-31,33,35-38H2,1-2H3,(H,49,57) |
| InChI Key | DDLYAWXBNYDUIN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C48H93NO10 |
| Molecular Weight | 844.30 g/mol |
| Exact Mass | 843.67994816 g/mol |
| Topological Polar Surface Area (TPSA) | 189.00 Ų |
| XlogP | 13.70 |
| There are no found synonyms. |
![2D Structure of N-[3,4-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracosan-2-yl]-2-hydroxyoctadec-4-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/defba400-8519-11ee-b756-3703541ed7ae.jpg "2D Structure of N-[3,4-dihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracosan-2-yl]-2-hydroxyoctadec-4-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.35% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.30% | 99.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 98.15% | 97.29% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 96.53% | 92.86% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.38% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 95.20% | 93.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.92% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.61% | 91.11% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 92.29% | 96.47% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 91.51% | 92.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.15% | 94.73% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 91.13% | 100.00% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 90.84% | 85.94% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.73% | 96.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 88.03% | 91.24% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 87.53% | 95.58% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 87.49% | 92.08% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.91% | 94.33% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 86.28% | 95.71% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 85.93% | 97.47% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 85.03% | 82.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.99% | 100.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 84.85% | 91.81% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.27% | 89.34% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.97% | 98.75% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 82.79% | 94.66% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 81.99% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.76% | 95.89% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.06% | 96.95% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 80.95% | 96.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.65% | 92.88% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.63% | 89.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 80.31% | 89.63% |
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.
| Pancovia laurentii |
| PubChem | 75576404 |
| LOTUS | LTS0123791 |
| wikiData | Q104976569 |