[5-Acetyloxy-2-(acetyloxymethyl)-4-(2-methylbutanoyloxy)-6-octoxyoxan-3-yl] 2-methylbutanoate
| Internal ID | 799d2034-0038-4ecd-99b3-c09aad9e3a4e |
| Taxonomy | Lipids and lipid-like molecules > Saccharolipids |
| IUPAC Name | [5-acetyloxy-2-(acetyloxymethyl)-4-(2-methylbutanoyloxy)-6-octoxyoxan-3-yl] 2-methylbutanoate |
| SMILES (Canonical) | CCCCCCCCOC1C(C(C(C(O1)COC(=O)C)OC(=O)C(C)CC)OC(=O)C(C)CC)OC(=O)C |
| SMILES (Isomeric) | CCCCCCCCOC1C(C(C(C(O1)COC(=O)C)OC(=O)C(C)CC)OC(=O)C(C)CC)OC(=O)C |
| InChI | InChI=1S/C28H48O10/c1-8-11-12-13-14-15-16-33-28-25(35-21(7)30)24(38-27(32)19(5)10-3)23(37-26(31)18(4)9-2)22(36-28)17-34-20(6)29/h18-19,22-25,28H,8-17H2,1-7H3 |
| InChI Key | JQZJQFWBPIOHOB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H48O10 |
| Molecular Weight | 544.70 g/mol |
| Exact Mass | 544.32474772 g/mol |
| Topological Polar Surface Area (TPSA) | 124.00 Ų |
| XlogP | 5.90 |
| There are no found synonyms. |
![2D Structure of [5-Acetyloxy-2-(acetyloxymethyl)-4-(2-methylbutanoyloxy)-6-octoxyoxan-3-yl] 2-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/5-acetyloxy-2-acetyloxymethyl-4-2-methylbutanoyloxy-6-octoxyoxan-3-yl-2-methylbutanoate.jpg "2D Structure of [5-Acetyloxy-2-(acetyloxymethyl)-4-(2-methylbutanoyloxy)-6-octoxyoxan-3-yl] 2-methylbutanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.58% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.44% | 97.25% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 95.58% | 97.29% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.26% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.76% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.17% | 99.17% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 92.41% | 92.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 92.14% | 96.95% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 90.19% | 96.47% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 89.91% | 85.94% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.33% | 94.73% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.91% | 97.21% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 85.28% | 92.86% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 85.19% | 83.00% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 85.15% | 80.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.61% | 93.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.94% | 91.19% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.84% | 94.80% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.40% | 94.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.09% | 91.11% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.05% | 100.00% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 81.89% | 87.45% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.72% | 97.79% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.41% | 100.00% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 81.21% | 82.50% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 80.51% | 96.00% |
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.
| Arctostaphylos pumila |
| PubChem | 162988107 |
| LOTUS | LTS0107087 |
| wikiData | Q105133771 |