[(2R,3R)-2-[(2S,4R)-5-[(2R,3R)-2,3-dimethyloxiran-2-yl]-4-methylpentan-2-yl]-6-oxo-2,3-dihydropyran-3-yl] (2E,4E,6S)-8-hydroxy-6-(hydroxymethyl)-4-methylocta-2,4-dienoate
| Internal ID | 9049f1c8-cd5d-4c4b-9a7f-a9445a19631b |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols |
| IUPAC Name | [(2R,3R)-2-[(2S,4R)-5-[(2R,3R)-2,3-dimethyloxiran-2-yl]-4-methylpentan-2-yl]-6-oxo-2,3-dihydropyran-3-yl] (2E,4E,6S)-8-hydroxy-6-(hydroxymethyl)-4-methylocta-2,4-dienoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H38O7/c1-16(13-20(15-27)10-11-26)6-8-22(28)30-21-7-9-23(29)31-24(21)18(3)12-17(2)14-25(5)19(4)32-25/h6-9,13,17-21,24,26-27H,10-12,14-15H2,1-5H3/b8-6+,16-13+/t17-,18+,19-,20+,21-,24-,25-/m1/s1 |
| InChI Key | AOHWBVWZGFQODA-YONAMVARSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H38O7 |
| Molecular Weight | 450.60 g/mol |
| Exact Mass | 450.26175355 g/mol |
| Topological Polar Surface Area (TPSA) | 106.00 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of [(2R,3R)-2-[(2S,4R)-5-[(2R,3R)-2,3-dimethyloxiran-2-yl]-4-methylpentan-2-yl]-6-oxo-2,3-dihydropyran-3-yl] (2E,4E,6S)-8-hydroxy-6-(hydroxymethyl)-4-methylocta-2,4-dienoate](https://plantaedb.com/storage/docs/compounds/2023/11/ba7d04d0-8596-11ee-b123-db6376daf43e.jpg "2D Structure of [(2R,3R)-2-[(2S,4R)-5-[(2R,3R)-2,3-dimethyloxiran-2-yl]-4-methylpentan-2-yl]-6-oxo-2,3-dihydropyran-3-yl] (2E,4E,6S)-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 | 99.43% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.31% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.48% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.61% | 98.95% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 91.28% | 89.63% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.60% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.66% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.28% | 89.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 88.76% | 91.07% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.50% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.14% | 97.09% |
| CHEMBL3837 | P07711 | Cathepsin L | 88.05% | 96.61% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.49% | 97.25% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.85% | 96.47% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.79% | 94.45% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.88% | 97.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.29% | 86.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.92% | 93.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.70% | 100.00% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 80.11% | 88.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.06% | 90.08% |
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 | 11775297 |
| LOTUS | LTS0083554 |
| wikiData | Q105280630 |