[3-Acetyloxy-2-(acetyloxymethyl)-6-(8-acetyloxy-7-methyl-3-methylideneoct-6-enoxy)-5-hydroxyoxan-4-yl] 2-methylbutanoate
| Internal ID | 619f87d5-dd18-4c3d-955e-9fd27cd085f6 |
| Taxonomy | Lipids and lipid-like molecules > Saccharolipids |
| IUPAC Name | [3-acetyloxy-2-(acetyloxymethyl)-6-(8-acetyloxy-7-methyl-3-methylideneoct-6-enoxy)-5-hydroxyoxan-4-yl] 2-methylbutanoate |
| SMILES (Canonical) | CCC(C)C(=O)OC1C(C(OC(C1OC(=O)C)COC(=O)C)OCCC(=C)CCC=C(C)COC(=O)C)O |
| SMILES (Isomeric) | CCC(C)C(=O)OC1C(C(OC(C1OC(=O)C)COC(=O)C)OCCC(=C)CCC=C(C)COC(=O)C)O |
| InChI | InChI=1S/C27H42O11/c1-8-18(4)26(32)38-25-23(31)27(37-22(15-35-20(6)29)24(25)36-21(7)30)33-13-12-16(2)10-9-11-17(3)14-34-19(5)28/h11,18,22-25,27,31H,2,8-10,12-15H2,1,3-7H3 |
| InChI Key | MIWFFKJIIUTZBI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H42O11 |
| Molecular Weight | 542.60 g/mol |
| Exact Mass | 542.27271215 g/mol |
| Topological Polar Surface Area (TPSA) | 144.00 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of [3-Acetyloxy-2-(acetyloxymethyl)-6-(8-acetyloxy-7-methyl-3-methylideneoct-6-enoxy)-5-hydroxyoxan-4-yl] 2-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/86156a30-8568-11ee-847f-75df0639e035.jpg "2D Structure of [3-Acetyloxy-2-(acetyloxymethyl)-6-(8-acetyloxy-7-methyl-3-methylideneoct-6-enoxy)-5-hydroxyoxan-4-yl] 2-methylbutanoate")
| 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 | 97.34% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.85% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.59% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.94% | 94.45% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 92.91% | 96.47% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.45% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.29% | 94.73% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 87.15% | 89.34% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 86.75% | 92.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.48% | 99.17% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.46% | 96.77% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 85.98% | 82.50% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.02% | 97.21% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.99% | 94.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.13% | 91.19% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.11% | 96.61% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.26% | 100.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.74% | 89.50% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.49% | 95.93% |
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.
| Tetraneuris linearifolia |
| PubChem | 163064270 |
| LOTUS | LTS0083830 |
| wikiData | Q105165255 |