lauroyl(-2)[iBu(-3)]Hex(?1-2?)Hex2ulof
| Internal ID | 3516b320-24a6-4658-8ebb-288adba1d174 |
| Taxonomy | Lipids and lipid-like molecules > Saccharolipids |
| IUPAC Name | [2-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-(2-methylpropoxy)oxan-3-yl] dodecanoate |
| SMILES (Canonical) | CCCCCCCCCCCC(=O)OC1C(C(C(OC1OC2(C(C(C(O2)CO)O)O)CO)CO)O)OCC(C)C |
| SMILES (Isomeric) | CCCCCCCCCCCC(=O)OC1C(C(C(OC1OC2(C(C(C(O2)CO)O)O)CO)CO)O)OCC(C)C |
| InChI | InChI=1S/C28H52O12/c1-4-5-6-7-8-9-10-11-12-13-21(32)38-25-24(36-16-18(2)3)22(33)19(14-29)37-27(25)40-28(17-31)26(35)23(34)20(15-30)39-28/h18-20,22-27,29-31,33-35H,4-17H2,1-3H3 |
| InChI Key | APUQGTNFGFBPEX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H52O12 |
| Molecular Weight | 580.70 g/mol |
| Exact Mass | 580.34587709 g/mol |
| Topological Polar Surface Area (TPSA) | 185.00 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of lauroyl(-2)[iBu(-3)]Hex(?1-2?)Hex2ulof](https://plantaedb.com/storage/docs/compounds/2023/11/lauroyl-2ibu-3hex1-2hex2ulof.jpg "2D Structure of lauroyl(-2)[iBu(-3)]Hex(?1-2?)Hex2ulof")
| 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 | 98.27% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.67% | 98.95% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 97.20% | 98.03% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.85% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.08% | 99.17% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 95.00% | 92.50% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 94.91% | 92.86% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 94.36% | 89.63% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 94.30% | 97.79% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 92.98% | 97.29% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 92.85% | 82.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.44% | 93.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.79% | 96.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 88.00% | 91.24% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.91% | 95.93% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.70% | 94.45% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 87.18% | 85.94% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.85% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.21% | 94.73% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.09% | 100.00% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 84.66% | 87.45% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.38% | 96.47% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 83.19% | 92.08% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.12% | 96.90% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.02% | 92.62% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.49% | 94.33% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.06% | 96.21% |
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 sordida |
| PubChem | 56667636 |
| LOTUS | LTS0236553 |
| wikiData | Q104916555 |