3-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-heptadec-9-enyl-2-hydroxypropanamide
| Internal ID | 3fd9090c-f2b3-4423-91ae-f1957c13fd9f |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Aminosaccharides > N-acyl-alpha-hexosamines |
| IUPAC Name | 3-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-heptadec-9-enyl-2-hydroxypropanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H52N2O8/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-27(36)22(33)20-37-28-24(30-21(2)32)26(35)25(34)23(19-31)38-28/h9-10,22-26,28,31,33-35H,3-8,11-20H2,1-2H3,(H,29,36)(H,30,32) |
| InChI Key | ZDCYNELOZAGMDN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H52N2O8 |
| Molecular Weight | 544.70 g/mol |
| Exact Mass | 544.37236662 g/mol |
| Topological Polar Surface Area (TPSA) | 158.00 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of 3-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-heptadec-9-enyl-2-hydroxypropanamide](https://plantaedb.com/storage/docs/compounds/2023/11/3-3-acetamido-45-dihydroxy-6-hydroxymethyloxan-2-yloxy-n-heptadec-9-enyl-2-hydroxypropanamide.jpg "2D Structure of 3-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-heptadec-9-enyl-2-hydroxypropanamide")
| 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 | 98.80% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.57% | 99.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 98.10% | 97.29% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.68% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.22% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.82% | 94.73% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 92.78% | 92.86% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.67% | 93.56% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 92.23% | 92.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.28% | 96.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 89.79% | 100.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 89.35% | 97.21% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 89.34% | 89.34% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 88.17% | 95.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.95% | 96.95% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 87.47% | 94.33% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 86.65% | 90.24% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.50% | 95.89% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 85.89% | 87.67% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.84% | 100.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.84% | 89.50% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 84.69% | 92.08% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 83.56% | 91.24% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.22% | 97.25% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.98% | 96.90% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 82.20% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.08% | 94.45% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 80.93% | 91.81% |
| CHEMBL256 | P0DMS8 | Adenosine A3 receptor | 80.50% | 95.93% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162842850 |
| LOTUS | LTS0044675 |
| wikiData | Q104202301 |