Methyl 2-[3-ethyl-5-(2-ethylhex-3-enyl)-5-methyloxolan-2-ylidene]acetate
| Internal ID | e79c31a5-8e50-4d48-8192-701b94a0d1a8 |
| Taxonomy | Organoheterocyclic compounds > Tetrahydrofurans |
| IUPAC Name | methyl 2-[3-ethyl-5-(2-ethylhex-3-enyl)-5-methyloxolan-2-ylidene]acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H30O3/c1-6-9-10-14(7-2)12-18(4)13-15(8-3)16(21-18)11-17(19)20-5/h9-11,14-15H,6-8,12-13H2,1-5H3 |
| InChI Key | CQSUOAMXLAIXBZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H30O3 |
| Molecular Weight | 294.40 g/mol |
| Exact Mass | 294.21949481 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
![2D Structure of Methyl 2-[3-ethyl-5-(2-ethylhex-3-enyl)-5-methyloxolan-2-ylidene]acetate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-2-3-ethyl-5-2-ethylhex-3-enyl-5-methyloxolan-2-ylideneacetate.jpg "2D Structure of Methyl 2-[3-ethyl-5-(2-ethylhex-3-enyl)-5-methyloxolan-2-ylidene]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 | 98.61% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.41% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.26% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.11% | 99.17% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 86.37% | 96.38% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 84.98% | 98.59% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.90% | 94.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.03% | 98.95% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 82.90% | 97.50% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.84% | 92.88% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.79% | 89.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.62% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.73% | 85.14% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.58% | 91.07% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.53% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.50% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.33% | 95.93% |
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 | 85086657 |
| LOTUS | LTS0042393 |
| wikiData | Q104968245 |