[2-(7-Hydroxy-4-methyl-6-methylideneoctan-2-yl)-6-oxo-2,3-dihydropyran-3-yl] 8-hydroxy-6-(hydroxymethyl)-4-methylocta-2,4-dienoate
| Internal ID | e537f132-a6df-424e-98be-b471b1d848c6 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols |
| IUPAC Name | [2-(7-hydroxy-4-methyl-6-methylideneoctan-2-yl)-6-oxo-2,3-dihydropyran-3-yl] 8-hydroxy-6-(hydroxymethyl)-4-methylocta-2,4-dienoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H38O7/c1-16(14-21(15-27)10-11-26)6-8-23(29)31-22-7-9-24(30)32-25(22)19(4)13-17(2)12-18(3)20(5)28/h6-9,14,17,19-22,25-28H,3,10-13,15H2,1-2,4-5H3 |
| InChI Key | QRWBFJVOYWUREI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H38O7 |
| Molecular Weight | 450.60 g/mol |
| Exact Mass | 450.26175355 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of [2-(7-Hydroxy-4-methyl-6-methylideneoctan-2-yl)-6-oxo-2,3-dihydropyran-3-yl] 8-hydroxy-6-(hydroxymethyl)-4-methylocta-2,4-dienoate](https://plantaedb.com/storage/docs/compounds/2023/11/3e299790-8579-11ee-a1d2-d9cf77282120.jpg "2D Structure of [2-(7-Hydroxy-4-methyl-6-methylideneoctan-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 | 99.73% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.37% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.99% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.74% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.32% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.59% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.52% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.10% | 94.45% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.22% | 96.47% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.97% | 94.73% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.53% | 97.25% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 82.71% | 89.34% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.69% | 91.19% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.78% | 91.07% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.46% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.10% | 86.33% |
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 | 73085293 |
| LOTUS | LTS0190165 |
| wikiData | Q104196136 |