isobutyryl(-3)[isobutyryl(-4)][decanoyl(-6)]Hex(?1-2?)Hex2ulof
| Internal ID | b71f06a6-9c28-4bb3-908c-b3f030b5c0a4 |
| Taxonomy | Lipids and lipid-like molecules > Saccharolipids |
| IUPAC Name | [6-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-3,4-bis(2-methylpropanoyloxy)oxan-2-yl]methyl decanoate |
| SMILES (Canonical) | CCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)OC(=O)C(C)C)OC(=O)C(C)C |
| SMILES (Isomeric) | CCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)OC(=O)C(C)C)OC(=O)C(C)C |
| InChI | InChI=1S/C30H52O14/c1-6-7-8-9-10-11-12-13-21(33)39-15-20-24(41-27(37)17(2)3)25(42-28(38)18(4)5)23(35)29(40-20)44-30(16-32)26(36)22(34)19(14-31)43-30/h17-20,22-26,29,31-32,34-36H,6-16H2,1-5H3 |
| InChI Key | NKOBOSIXRKXGKX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H52O14 |
| Molecular Weight | 636.70 g/mol |
| Exact Mass | 636.33570633 g/mol |
| Topological Polar Surface Area (TPSA) | 208.00 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of isobutyryl(-3)[isobutyryl(-4)][decanoyl(-6)]Hex(?1-2?)Hex2ulof](https://plantaedb.com/storage/docs/compounds/2023/11/isobutyryl-3isobutyryl-4decanoyl-6hex1-2hex2ulof.jpg "2D Structure of isobutyryl(-3)[isobutyryl(-4)][decanoyl(-6)]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 | 97.66% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.20% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.92% | 99.17% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 94.91% | 98.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.48% | 98.95% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 94.35% | 92.50% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 92.94% | 97.79% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 91.35% | 97.29% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.13% | 94.73% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 90.81% | 92.86% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 89.09% | 83.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.49% | 96.61% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 88.21% | 82.50% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 88.09% | 89.63% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.80% | 96.47% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.77% | 91.19% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.55% | 94.45% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.05% | 93.56% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 86.21% | 91.81% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 86.06% | 85.94% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.20% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.11% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.95% | 97.09% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.68% | 94.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.24% | 96.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.22% | 95.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.07% | 92.62% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.75% | 94.80% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 83.70% | 94.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.21% | 97.25% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 82.57% | 92.32% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 81.10% | 92.08% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.50% | 91.24% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.49% | 96.90% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.45% | 89.00% |
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.
| Solanum berthaultii |
| PubChem | 14729632 |
| LOTUS | LTS0088458 |
| wikiData | Q105180677 |