methyl 2-[(3S,4R,6S)-6-[(E)-but-1-enyl]-4,6-diethyldioxan-3-yl]acetate
| Internal ID | d0285d29-d668-4d61-80f3-1295e629d1d0 |
| Taxonomy | Organoheterocyclic compounds > Dioxanes > 1,2-dioxanes |
| IUPAC Name | methyl 2-[(3S,4R,6S)-6-[(E)-but-1-enyl]-4,6-diethyldioxan-3-yl]acetate |
| SMILES (Canonical) | CCC=CC1(CC(C(OO1)CC(=O)OC)CC)CC |
| SMILES (Isomeric) | CC/C=C/[C@@]1(C[C@H]([C@@H](OO1)CC(=O)OC)CC)CC |
| InChI | InChI=1S/C15H26O4/c1-5-8-9-15(7-3)11-12(6-2)13(18-19-15)10-14(16)17-4/h8-9,12-13H,5-7,10-11H2,1-4H3/b9-8+/t12-,13+,15-/m1/s1 |
| InChI Key | BAKJVBVQCDUJOC-ZBLHKVTASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H26O4 |
| Molecular Weight | 270.36 g/mol |
| Exact Mass | 270.18310931 g/mol |
| Topological Polar Surface Area (TPSA) | 44.80 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of methyl 2-[(3S,4R,6S)-6-[(E)-but-1-enyl]-4,6-diethyldioxan-3-yl]acetate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-2-3s4r6s-6-e-but-1-enyl-46-diethyldioxan-3-ylacetate.jpg "2D Structure of methyl 2-[(3S,4R,6S)-6-[(E)-but-1-enyl]-4,6-diethyldioxan-3-yl]acetate")
| 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 | 97.90% | 96.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 89.73% | 96.61% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.48% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.26% | 91.11% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.02% | 94.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.78% | 99.17% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.30% | 92.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.79% | 91.19% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.77% | 92.62% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.59% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.94% | 97.09% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.12% | 95.50% |
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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 10849667 |
| LOTUS | LTS0050394 |
| wikiData | Q104922260 |