[(2R,3R,4S,5R,6R)-2-[(2S,3R,4S,5S)-4-hydroxy-2,5-bis(hydroxymethyl)-3-(3-methylbutanoyloxy)oxolan-2-yl]oxy-6-(hydroxymethyl)-4,5-bis(2-methylpropanoyloxy)oxan-3-yl] decanoate
| Internal ID | 348f1244-d05d-48ac-8227-eb7f34276400 |
| Taxonomy | Lipids and lipid-like molecules > Saccharolipids |
| IUPAC Name | [(2R,3R,4S,5R,6R)-2-[(2S,3R,4S,5S)-4-hydroxy-2,5-bis(hydroxymethyl)-3-(3-methylbutanoyloxy)oxolan-2-yl]oxy-6-(hydroxymethyl)-4,5-bis(2-methylpropanoyloxy)oxan-3-yl] decanoate |
| SMILES (Canonical) | CCCCCCCCCC(=O)OC1C(C(C(OC1OC2(C(C(C(O2)CO)O)OC(=O)CC(C)C)CO)CO)OC(=O)C(C)C)OC(=O)C(C)C |
| SMILES (Isomeric) | CCCCCCCCCC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[C@]2([C@@H]([C@H]([C@@H](O2)CO)O)OC(=O)CC(C)C)CO)CO)OC(=O)C(C)C)OC(=O)C(C)C |
| InChI | InChI=1S/C35H60O15/c1-8-9-10-11-12-13-14-15-25(39)45-30-29(48-33(43)22(6)7)28(47-32(42)21(4)5)24(18-37)44-34(30)50-35(19-38)31(27(41)23(17-36)49-35)46-26(40)16-20(2)3/h20-24,27-31,34,36-38,41H,8-19H2,1-7H3/t23-,24+,27-,28+,29-,30+,31+,34+,35-/m0/s1 |
| InChI Key | LOTLMZWGLBOKFL-NMFZGUQNSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C35H60O15 |
| Molecular Weight | 720.80 g/mol |
| Exact Mass | 720.39322120 g/mol |
| Topological Polar Surface Area (TPSA) | 214.00 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
![2D Structure of [(2R,3R,4S,5R,6R)-2-[(2S,3R,4S,5S)-4-hydroxy-2,5-bis(hydroxymethyl)-3-(3-methylbutanoyloxy)oxolan-2-yl]oxy-6-(hydroxymethyl)-4,5-bis(2-methylpropanoyloxy)oxan-3-yl] decanoate](https://plantaedb.com/storage/docs/compounds/2023/11/68631300-8579-11ee-b78d-add62891cd2f.jpg "2D Structure of [(2R,3R,4S,5R,6R)-2-[(2S,3R,4S,5S)-4-hydroxy-2,5-bis(hydroxymethyl)-3-(3-methylbutanoyloxy)oxolan-2-yl]oxy-6-(hydroxymethyl)-4,5-bis(2-methylpropanoyloxy)oxan-3-yl] decanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 98.93% | 89.63% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.62% | 96.09% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 98.59% | 98.03% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 97.11% | 97.79% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 96.53% | 85.94% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 96.51% | 92.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.50% | 91.11% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 96.43% | 97.29% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.05% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.32% | 99.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 95.10% | 92.86% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 93.73% | 82.50% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 92.28% | 96.47% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 91.16% | 95.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.47% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.24% | 94.45% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 89.69% | 92.32% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 88.66% | 83.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.53% | 96.61% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.60% | 91.19% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 86.72% | 91.24% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.56% | 100.00% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 85.98% | 94.00% |
| CHEMBL3180 | O00748 | Carboxylesterase 2 | 85.57% | 90.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.88% | 92.62% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.61% | 95.50% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 83.94% | 87.45% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 83.88% | 96.21% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.66% | 94.33% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 83.50% | 89.05% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.03% | 94.73% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 83.02% | 95.36% |
| CHEMBL268 | P43235 | Cathepsin K | 82.90% | 96.85% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.45% | 93.56% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 82.19% | 97.36% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 81.97% | 94.66% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.90% | 96.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 81.50% | 91.81% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.39% | 97.09% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.00% | 100.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.33% | 95.93% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 80.28% | 95.71% |
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 | 162992260 |
| LOTUS | LTS0039759 |
| wikiData | Q105154919 |