10-O-[5-methoxy-4-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 1-O-methyl deca-2,4,6,8-tetraenedioate
| Internal ID | f6dca02e-c1ef-4953-83e8-da05202772cd |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters |
| IUPAC Name | 10-O-[5-methoxy-4-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 1-O-methyl deca-2,4,6,8-tetraenedioate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H36O7/c1-19(2)14-15-21-26(3,34-21)25-24(31-5)20(16-17-27(25)18-32-27)33-23(29)13-11-9-7-6-8-10-12-22(28)30-4/h6-14,20-21,24-25H,15-18H2,1-5H3 |
| InChI Key | NWHKXUNHXNCFFG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H36O7 |
| Molecular Weight | 472.60 g/mol |
| Exact Mass | 472.24610348 g/mol |
| Topological Polar Surface Area (TPSA) | 86.90 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of 10-O-[5-methoxy-4-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 1-O-methyl deca-2,4,6,8-tetraenedioate](https://plantaedb.com/storage/docs/compounds/2023/11/6636f390-8728-11ee-9340-fd1dfa38ac0e.jpg "2D Structure of 10-O-[5-methoxy-4-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 1-O-methyl deca-2,4,6,8-tetraenedioate")
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.83% | 83.82% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 98.83% | 97.28% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.12% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.66% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.67% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.85% | 94.45% |
| CHEMBL204 | P00734 | Thrombin | 94.15% | 96.01% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.10% | 91.19% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 87.40% | 94.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.12% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.64% | 85.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.14% | 92.62% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.69% | 91.07% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.18% | 95.50% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.88% | 91.03% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.32% | 92.50% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.29% | 98.75% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 81.22% | 98.99% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.11% | 95.89% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.91% | 91.24% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.72% | 99.23% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.35% | 95.93% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.09% | 98.95% |
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.
| There are no matching plants. |
| PubChem | 85123059 |
| LOTUS | LTS0196365 |
| wikiData | Q104180079 |