[(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-2-(acetyloxymethyl)-4-hydroxy-5-(hydroxymethyl)-3-[(2R)-2-methylbutanoyl]oxyoxolan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-(2-methylpropanoyloxy)oxan-3-yl] decanoate
| Internal ID | d64ad38f-b72d-4ac5-889b-3ea74a1560dc |
| Taxonomy | Lipids and lipid-like molecules > Saccharolipids |
| IUPAC Name | [(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-2-(acetyloxymethyl)-4-hydroxy-5-(hydroxymethyl)-3-[(2R)-2-methylbutanoyl]oxyoxolan-2-yl]oxy-5-hydroxy-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)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)CO)O)OC(=O)C(C)C |
| InChI | InChI=1S/C33H56O15/c1-7-9-10-11-12-13-14-15-24(37)44-28-27(45-30(40)19(3)4)25(38)22(16-34)43-32(28)48-33(18-42-21(6)36)29(26(39)23(17-35)47-33)46-31(41)20(5)8-2/h19-20,22-23,25-29,32,34-35,38-39H,7-18H2,1-6H3/t20-,22-,23-,25-,26-,27+,28-,29+,32-,33+/m1/s1 |
| InChI Key | OMKDEMOUHIHOJQ-JMXSLSAGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H56O15 |
| Molecular Weight | 692.80 g/mol |
| Exact Mass | 692.36192108 g/mol |
| Topological Polar Surface Area (TPSA) | 214.00 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of [(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-2-(acetyloxymethyl)-4-hydroxy-5-(hydroxymethyl)-3-[(2R)-2-methylbutanoyl]oxyoxolan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-(2-methylpropanoyloxy)oxan-3-yl] decanoate](https://plantaedb.com/storage/docs/compounds/2023/11/f2281720-86ca-11ee-9607-6d36097d6416.jpg "2D Structure of [(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-2-(acetyloxymethyl)-4-hydroxy-5-(hydroxymethyl)-3-[(2R)-2-methylbutanoyl]oxyoxolan-2-yl]oxy-5-hydroxy-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 | 99.02% | 96.09% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 98.10% | 98.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.85% | 98.95% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 97.59% | 97.79% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.53% | 91.11% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 97.17% | 85.94% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 96.36% | 92.86% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 95.03% | 97.29% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 95.00% | 92.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.22% | 99.17% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 93.94% | 82.50% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.50% | 97.25% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 92.44% | 89.63% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.78% | 94.45% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 91.43% | 89.05% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 91.06% | 91.24% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 89.94% | 96.61% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.79% | 91.19% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.51% | 94.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.41% | 92.62% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.25% | 96.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.57% | 95.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.30% | 100.00% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 85.15% | 94.00% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 85.05% | 92.32% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.65% | 94.73% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.58% | 93.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.42% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.42% | 96.47% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.32% | 98.75% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 83.04% | 97.36% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 82.85% | 83.00% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 82.79% | 98.10% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 81.55% | 87.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.40% | 96.77% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.33% | 85.14% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.17% | 95.89% |
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.
| Physalis nicandroides |
| PubChem | 162994300 |
| LOTUS | LTS0113250 |
| wikiData | Q105194358 |