N-[1-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-16-methylheptadecan-2-yl]docosanamide
| Internal ID | 4a1490b7-cffc-4e9a-a956-0eafec27a4d6 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Aminosaccharides > N-acyl-alpha-hexosamines |
| IUPAC Name | N-[1-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-16-methylheptadecan-2-yl]docosanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C48H94N2O9/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-29-32-35-43(54)50-40(37-58-48-44(49-39(4)52)47(57)46(56)42(36-51)59-48)45(55)41(53)34-31-28-25-22-20-21-24-27-30-33-38(2)3/h38,40-42,44-48,51,53,55-57H,5-37H2,1-4H3,(H,49,52)(H,50,54) |
| InChI Key | MHWAOEOFBPPBNO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C48H94N2O9 |
| Molecular Weight | 843.30 g/mol |
| Exact Mass | 842.69593258 g/mol |
| Topological Polar Surface Area (TPSA) | 178.00 Ų |
| XlogP | 13.60 |
| There are no found synonyms. |
![2D Structure of N-[1-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-16-methylheptadecan-2-yl]docosanamide](https://plantaedb.com/storage/docs/compounds/2023/11/4af870d0-854f-11ee-9325-f3ba38df2a64.jpg "2D Structure of N-[1-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-16-methylheptadecan-2-yl]docosanamide")
| 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 | 99.15% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.60% | 99.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 98.42% | 97.29% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 96.28% | 93.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.11% | 96.09% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 95.05% | 92.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.75% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.30% | 91.11% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 92.24% | 92.86% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 91.48% | 98.05% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 90.31% | 97.21% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 90.08% | 89.63% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 89.19% | 97.79% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 89.02% | 92.08% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.92% | 95.89% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.60% | 96.00% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 88.39% | 82.50% |
| CHEMBL256 | P0DMS8 | Adenosine A3 receptor | 87.29% | 95.93% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.08% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.46% | 96.47% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.07% | 94.33% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 85.46% | 91.24% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.74% | 90.71% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.70% | 100.00% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 83.57% | 100.00% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 83.34% | 95.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.23% | 97.25% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 82.80% | 96.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.53% | 94.45% |
| CHEMBL3776 | Q14790 | Caspase-8 | 82.18% | 97.06% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.54% | 96.90% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 81.38% | 85.94% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.18% | 89.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.13% | 97.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.27% | 96.61% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 80.11% | 97.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.03% | 89.00% |
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 | 162888082 |
| LOTUS | LTS0085497 |
| wikiData | Q105164287 |