[2-[3,4-Dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,5-bis(2-methylbutanoyloxy)-6-(2-methylbutanoyloxymethyl)oxan-4-yl] heptanoate
| Internal ID | 94d36433-d05a-4437-97a3-8fb35d7a2a0b |
| Taxonomy | Lipids and lipid-like molecules > Saccharolipids |
| IUPAC Name | [2-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,5-bis(2-methylbutanoyloxy)-6-(2-methylbutanoyloxymethyl)oxan-4-yl] heptanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H58O15/c1-8-12-13-14-15-24(37)45-27-26(46-31(41)20(6)10-3)23(17-43-30(40)19(5)9-2)44-33(28(27)47-32(42)21(7)11-4)49-34(18-36)29(39)25(38)22(16-35)48-34/h19-23,25-29,33,35-36,38-39H,8-18H2,1-7H3 |
| InChI Key | STBGDVFIIAVWSN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H58O15 |
| Molecular Weight | 706.80 g/mol |
| Exact Mass | 706.37757114 g/mol |
| Topological Polar Surface Area (TPSA) | 214.00 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
![2D Structure of [2-[3,4-Dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,5-bis(2-methylbutanoyloxy)-6-(2-methylbutanoyloxymethyl)oxan-4-yl] heptanoate](https://plantaedb.com/storage/docs/compounds/2023/11/7ee3d530-8531-11ee-a3d3-57f0843b33a1.jpg "2D Structure of [2-[3,4-Dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,5-bis(2-methylbutanoyloxy)-6-(2-methylbutanoyloxymethyl)oxan-4-yl] heptanoate")
| 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 | 98.47% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.25% | 98.95% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 96.56% | 92.50% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 96.17% | 97.79% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 95.87% | 98.03% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.76% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.11% | 99.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 94.37% | 92.86% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 93.93% | 96.61% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 93.26% | 82.50% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 92.48% | 97.29% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 92.18% | 89.63% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.82% | 94.45% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 89.79% | 83.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.74% | 95.93% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.60% | 93.56% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.44% | 96.47% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.33% | 94.73% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.70% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.62% | 97.25% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.54% | 96.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.79% | 100.00% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 84.01% | 92.32% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.33% | 96.90% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.17% | 91.19% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 82.85% | 92.08% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 82.83% | 85.94% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.52% | 95.50% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 81.91% | 87.45% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.72% | 98.75% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 81.62% | 95.71% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.17% | 94.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.82% | 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.
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| There are no matching plants. |
| PubChem | 163102928 |
| LOTUS | LTS0070872 |
| wikiData | Q104667852 |