(2E,4E,6E,8E)-10-[[(3R,4S,6R)-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl]oxy]-10-oxodeca-2,4,6,8-tetraenoic acid
| Internal ID | 61e7a8d4-3afc-411c-90c7-242bd220cde6 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Medium-chain fatty acids |
| IUPAC Name | (2E,4E,6E,8E)-10-[[(3R,4S,6R)-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl]oxy]-10-oxodeca-2,4,6,8-tetraenoic acid |
| SMILES (Canonical) | CC(=CCC1C(O1)(C)C2CC(CCC23CO3)OC(=O)C=CC=CC=CC=CC(=O)O)C |
| SMILES (Isomeric) | CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2C[C@@H](CC[C@]23CO3)OC(=O)/C=C/C=C/C=C/C=C/C(=O)O)C |
| InChI | InChI=1S/C25H32O6/c1-18(2)12-13-21-24(3,31-21)20-16-19(14-15-25(20)17-29-25)30-23(28)11-9-7-5-4-6-8-10-22(26)27/h4-12,19-21H,13-17H2,1-3H3,(H,26,27)/b6-4+,7-5+,10-8+,11-9+/t19-,20-,21-,24-,25+/m1/s1 |
| InChI Key | XEBKKDOGEUUHMT-DVLBASHQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H32O6 |
| Molecular Weight | 428.50 g/mol |
| Exact Mass | 428.21988874 g/mol |
| Topological Polar Surface Area (TPSA) | 88.70 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of (2E,4E,6E,8E)-10-[[(3R,4S,6R)-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl]oxy]-10-oxodeca-2,4,6,8-tetraenoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/d45de170-8607-11ee-90fd-b363fa189518.jpg "2D Structure of (2E,4E,6E,8E)-10-[[(3R,4S,6R)-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl]oxy]-10-oxodeca-2,4,6,8-tetraenoic acid")
| 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 | 98.39% | 83.82% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.49% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.09% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.53% | 96.09% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 92.51% | 97.28% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.23% | 91.19% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.21% | 95.93% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 88.52% | 94.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.50% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.34% | 90.17% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.81% | 89.34% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 85.51% | 97.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.08% | 92.62% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.98% | 93.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.56% | 95.50% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.55% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.45% | 85.14% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 82.41% | 94.08% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.06% | 96.95% |
| CHEMBL5028 | O14672 | ADAM10 | 82.03% | 97.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.88% | 95.89% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.31% | 94.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.23% | 91.07% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.08% | 99.23% |
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 | 141971629 |
| LOTUS | LTS0214701 |
| wikiData | Q105326225 |