[(2R,3R,4S,5R,6R)-5-hydroxy-2-[(2S,3S,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-[(2R)-2-methylbutanoyl]oxy-2-[[(2R)-2-methylbutanoyl]oxymethyl]oxolan-2-yl]oxy-6-(hydroxymethyl)-4-(2-methylpropanoyloxy)oxan-3-yl] decanoate
| Internal ID | 474ecc7a-7310-4146-9198-1e5c86a9d1bb |
| Taxonomy | Lipids and lipid-like molecules > Saccharolipids |
| IUPAC Name | [(2R,3R,4S,5R,6R)-5-hydroxy-2-[(2S,3S,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-[(2R)-2-methylbutanoyl]oxy-2-[[(2R)-2-methylbutanoyl]oxymethyl]oxolan-2-yl]oxy-6-(hydroxymethyl)-4-(2-methylpropanoyloxy)oxan-3-yl] decanoate |
| SMILES (Canonical) | CCCCCCCCCC(=O)OC1C(C(C(OC1OC2(C(C(C(O2)CO)O)OC(=O)C(C)CC)COC(=O)C(C)CC)CO)O)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)[C@H](C)CC)COC(=O)[C@H](C)CC)CO)O)OC(=O)C(C)C |
| InChI | InChI=1S/C36H62O15/c1-8-11-12-13-14-15-16-17-26(39)47-30-29(48-32(42)21(4)5)27(40)24(18-37)46-35(30)51-36(20-45-33(43)22(6)9-2)31(28(41)25(19-38)50-36)49-34(44)23(7)10-3/h21-25,27-31,35,37-38,40-41H,8-20H2,1-7H3/t22-,23-,24-,25-,27-,28-,29+,30-,31+,35-,36+/m1/s1 |
| InChI Key | YFQNZOWYPJHOIM-UVGZEBSCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H62O15 |
| Molecular Weight | 734.90 g/mol |
| Exact Mass | 734.40887127 g/mol |
| Topological Polar Surface Area (TPSA) | 214.00 Ų |
| XlogP | 5.80 |
| There are no found synonyms. |
![2D Structure of [(2R,3R,4S,5R,6R)-5-hydroxy-2-[(2S,3S,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-[(2R)-2-methylbutanoyl]oxy-2-[[(2R)-2-methylbutanoyl]oxymethyl]oxolan-2-yl]oxy-6-(hydroxymethyl)-4-(2-methylpropanoyloxy)oxan-3-yl] decanoate](https://plantaedb.com/storage/docs/compounds/2023/11/c3637400-85cb-11ee-ba03-17bda7e28d34.jpg "2D Structure of [(2R,3R,4S,5R,6R)-5-hydroxy-2-[(2S,3S,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-[(2R)-2-methylbutanoyl]oxy-2-[[(2R)-2-methylbutanoyl]oxymethyl]oxolan-2-yl]oxy-6-(hydroxymethyl)-4-(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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.87% | 96.09% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 98.45% | 98.03% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 97.82% | 97.79% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 97.51% | 85.94% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.10% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.08% | 98.95% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 95.89% | 92.86% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 95.59% | 92.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.22% | 99.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 94.00% | 97.29% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 93.49% | 82.50% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 93.03% | 89.63% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 92.44% | 96.61% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 91.70% | 91.24% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.17% | 97.25% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 90.24% | 89.05% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.84% | 94.45% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.71% | 96.47% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.03% | 91.19% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 86.44% | 92.32% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.17% | 94.33% |
| CHEMBL3180 | O00748 | Carboxylesterase 2 | 85.67% | 90.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.46% | 96.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.75% | 95.50% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 84.39% | 87.45% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 83.94% | 97.36% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.89% | 92.62% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.88% | 93.56% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 83.81% | 94.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.81% | 100.00% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 83.67% | 83.00% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 83.04% | 95.36% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.81% | 100.00% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 82.48% | 98.10% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.92% | 98.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.52% | 94.73% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 81.39% | 91.81% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 81.17% | 92.08% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.03% | 96.21% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.73% | 97.09% |
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.
| Fumaria parviflora |
| Physalis nicandroides |
| PubChem | 162987609 |
| LOTUS | LTS0200647 |
| wikiData | Q105024918 |