2-[(3S,4R,6S)-4,6-diethyl-6-[(1E,4R,5E)-4-ethylocta-1,5-dienyl]dioxan-3-yl]acetic acid
| Internal ID | 9d776f96-f4d1-40e6-830d-a6b2012f7869 |
| Taxonomy | Organoheterocyclic compounds > Dioxanes > 1,2-dioxanes |
| IUPAC Name | 2-[(3S,4R,6S)-4,6-diethyl-6-[(1E,4R,5E)-4-ethylocta-1,5-dienyl]dioxan-3-yl]acetic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H34O4/c1-5-9-11-16(6-2)12-10-13-20(8-4)15-17(7-3)18(23-24-20)14-19(21)22/h9-11,13,16-18H,5-8,12,14-15H2,1-4H3,(H,21,22)/b11-9+,13-10+/t16-,17+,18-,20+/m0/s1 |
| InChI Key | APFBSUUYUMZERZ-HQGXGXPHSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H34O4 |
| Molecular Weight | 338.50 g/mol |
| Exact Mass | 338.24570956 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 5.10 |
| There are no found synonyms. |
![2D Structure of 2-[(3S,4R,6S)-4,6-diethyl-6-[(1E,4R,5E)-4-ethylocta-1,5-dienyl]dioxan-3-yl]acetic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2-3s4r6s-46-diethyl-6-1e4r5e-4-ethylocta-15-dienyldioxan-3-ylacetic-acid.jpg "2D Structure of 2-[(3S,4R,6S)-4,6-diethyl-6-[(1E,4R,5E)-4-ethylocta-1,5-dienyl]dioxan-3-yl]acetic 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.86% | 96.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 89.41% | 96.61% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.12% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.58% | 97.25% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.56% | 96.47% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.93% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.94% | 91.19% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.53% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.41% | 96.77% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.93% | 99.17% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.48% | 95.93% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 82.10% | 97.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.74% | 95.56% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.14% | 92.50% |
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 | 162933679 |
| LOTUS | LTS0198112 |
| wikiData | Q104916213 |