[(2R,3R,4S,5R,6R)-5-hydroxy-2-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-3-[(2S)-2-methylbutanoyl]oxyoxolan-2-yl]oxy-6-(hydroxymethyl)-4-(2-methylpropanoyloxy)oxan-3-yl] decanoate
| Internal ID | f035c413-faa1-4d6f-ae2f-84cec57e875b |
| Taxonomy | Lipids and lipid-like molecules > Saccharolipids |
| IUPAC Name | [(2R,3R,4S,5R,6R)-5-hydroxy-2-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-3-[(2S)-2-methylbutanoyl]oxyoxolan-2-yl]oxy-6-(hydroxymethyl)-4-(2-methylpropanoyloxy)oxan-3-yl] decanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H54O14/c1-6-8-9-10-11-12-13-14-22(35)41-26-25(42-28(38)18(3)4)23(36)20(15-32)40-30(26)45-31(17-34)27(24(37)21(16-33)44-31)43-29(39)19(5)7-2/h18-21,23-27,30,32-34,36-37H,6-17H2,1-5H3/t19-,20+,21+,23+,24+,25-,26+,27-,30+,31-/m0/s1 |
| InChI Key | JBOQGWGVWAGTCW-CXLTZJJBSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C31H54O14 |
| Molecular Weight | 650.80 g/mol |
| Exact Mass | 650.35135639 g/mol |
| Topological Polar Surface Area (TPSA) | 208.00 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of [(2R,3R,4S,5R,6R)-5-hydroxy-2-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-3-[(2S)-2-methylbutanoyl]oxyoxolan-2-yl]oxy-6-(hydroxymethyl)-4-(2-methylpropanoyloxy)oxan-3-yl] decanoate](https://plantaedb.com/storage/docs/compounds/2023/11/116b7440-8553-11ee-9e27-25aeca9c8987.jpg "2D Structure of [(2R,3R,4S,5R,6R)-5-hydroxy-2-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-3-[(2S)-2-methylbutanoyl]oxyoxolan-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 | 98.70% | 96.09% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 98.30% | 98.03% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 97.86% | 89.63% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 97.82% | 85.94% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 97.28% | 97.79% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.81% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.49% | 91.11% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 95.80% | 92.50% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 95.12% | 92.86% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.52% | 99.17% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 94.46% | 96.61% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 94.01% | 97.29% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 93.73% | 82.50% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.63% | 97.25% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 91.40% | 91.24% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.04% | 94.45% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 89.62% | 96.47% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 87.49% | 92.32% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 87.38% | 89.05% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 87.19% | 87.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.80% | 91.19% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 86.28% | 96.21% |
| CHEMBL3180 | O00748 | Carboxylesterase 2 | 85.86% | 90.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.70% | 92.62% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 85.62% | 94.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.83% | 94.33% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.71% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.48% | 96.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.05% | 95.50% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 83.67% | 83.00% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 83.28% | 97.36% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.28% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.13% | 93.56% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.12% | 98.75% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 81.88% | 95.36% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.73% | 96.77% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 81.39% | 91.81% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.16% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.24% | 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.
| Physalis nicandroides |
| PubChem | 163086755 |
| LOTUS | LTS0083695 |
| wikiData | Q105124478 |