[2-(4,6-Dimethyl-8-oxooct-6-en-2-yl)-6-oxo-2,3-dihydropyran-3-yl] 8-hydroxy-6-(hydroxymethyl)-4-methylocta-2,4-dienoate
| Internal ID | 27a6563c-1012-4b73-84c2-e7e7e09e49bd |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols |
| IUPAC Name | [2-(4,6-dimethyl-8-oxooct-6-en-2-yl)-6-oxo-2,3-dihydropyran-3-yl] 8-hydroxy-6-(hydroxymethyl)-4-methylocta-2,4-dienoate |
| SMILES (Canonical) | CC(CC(C)C1C(C=CC(=O)O1)OC(=O)C=CC(=CC(CCO)CO)C)CC(=CC=O)C |
| SMILES (Isomeric) | CC(CC(C)C1C(C=CC(=O)O1)OC(=O)C=CC(=CC(CCO)CO)C)CC(=CC=O)C |
| InChI | InChI=1S/C25H36O7/c1-17(15-21(16-28)10-12-27)5-7-23(29)31-22-6-8-24(30)32-25(22)20(4)14-19(3)13-18(2)9-11-26/h5-9,11,15,19-22,25,27-28H,10,12-14,16H2,1-4H3 |
| InChI Key | PRTVRCOTGRINLU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H36O7 |
| Molecular Weight | 448.50 g/mol |
| Exact Mass | 448.24610348 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of [2-(4,6-Dimethyl-8-oxooct-6-en-2-yl)-6-oxo-2,3-dihydropyran-3-yl] 8-hydroxy-6-(hydroxymethyl)-4-methylocta-2,4-dienoate](https://plantaedb.com/storage/docs/compounds/2023/11/66b663e0-83aa-11ee-976c-27e97b4884ce.jpg "2D Structure of [2-(4,6-Dimethyl-8-oxooct-6-en-2-yl)-6-oxo-2,3-dihydropyran-3-yl] 8-hydroxy-6-(hydroxymethyl)-4-methylocta-2,4-dienoate")
| 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 | 98.47% | 83.82% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.45% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.22% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.75% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.64% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.47% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.76% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.40% | 89.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.16% | 96.47% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.81% | 91.19% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.18% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.00% | 96.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 72753248 |
| LOTUS | LTS0097017 |
| wikiData | Q104195314 |