N-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]-12-methyltridecanamide
| Internal ID | d957c2fa-e3c5-49fd-9184-b666048f308c |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Aminosaccharides > N-acyl-alpha-hexosamines |
| IUPAC Name | N-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]-12-methyltridecanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C37H62N4O16/c1-18(2)12-10-8-6-4-5-7-9-11-13-23(45)39-26-30(50)27(47)21(54-36(26)57-35-25(38-19(3)43)29(49)28(48)22(17-42)55-35)16-20(44)33-31(51)32(52)34(56-33)41-15-14-24(46)40-37(41)53/h14-15,18,20-22,25-36,42,44,47-52H,4-13,16-17H2,1-3H3,(H,38,43)(H,39,45)(H,40,46,53) |
| InChI Key | MKQADTKNJYGXNQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C37H62N4O16 |
| Molecular Weight | 818.90 g/mol |
| Exact Mass | 818.41608190 g/mol |
| Topological Polar Surface Area (TPSA) | 306.00 Ų |
| XlogP | -0.20 |
| There are no found synonyms. |
![2D Structure of N-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]-12-methyltridecanamide](https://plantaedb.com/storage/docs/compounds/2023/11/bf8f8df0-84c1-11ee-972f-278223336ea7.jpg "2D Structure of N-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]-12-methyltridecanamide")
| 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 | 99.11% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.61% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.64% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.57% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.33% | 99.17% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 93.15% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.84% | 94.73% |
| CHEMBL2123 | P51582 | Pyrimidinergic receptor P2Y4 | 91.30% | 93.39% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.22% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.80% | 89.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 87.58% | 98.59% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 86.81% | 94.66% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.30% | 93.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.07% | 85.14% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 85.90% | 92.50% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 84.90% | 95.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.86% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.69% | 99.23% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 84.01% | 93.10% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.68% | 90.08% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.56% | 96.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.40% | 97.09% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.35% | 94.33% |
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.
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| There are no matching plants. |
| PubChem | 163050057 |
| LOTUS | LTS0080781 |
| wikiData | Q105166131 |