methyl 2-[(2S,5S)-5-tetradecyloxolan-2-yl]acetate
| Internal ID | ee5652d0-bf52-4d33-8a54-06a0512f0a58 |
| Taxonomy | Organoheterocyclic compounds > Oxolanes |
| IUPAC Name | methyl 2-[(2S,5S)-5-tetradecyloxolan-2-yl]acetate |
| SMILES (Canonical) | CCCCCCCCCCCCCCC1CCC(O1)CC(=O)OC |
| SMILES (Isomeric) | CCCCCCCCCCCCCC[C@H]1CC[C@H](O1)CC(=O)OC |
| InChI | InChI=1S/C21H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-17-20(24-19)18-21(22)23-2/h19-20H,3-18H2,1-2H3/t19-,20-/m0/s1 |
| InChI Key | YGQMDFMXPBTIRS-PMACEKPBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H40O3 |
| Molecular Weight | 340.50 g/mol |
| Exact Mass | 340.29774513 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 7.70 |
| There are no found synonyms. |
![2D Structure of methyl 2-[(2S,5S)-5-tetradecyloxolan-2-yl]acetate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-2-2s5s-5-tetradecyloxolan-2-ylacetate.jpg "2D Structure of methyl 2-[(2S,5S)-5-tetradecyloxolan-2-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 | 96.23% | 96.09% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 93.36% | 90.24% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.39% | 99.17% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 91.25% | 95.50% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 90.07% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.73% | 98.95% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 89.28% | 94.33% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.91% | 83.82% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 86.82% | 97.29% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.60% | 91.11% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.10% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 85.74% | 92.50% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 85.42% | 92.86% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.98% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.33% | 91.19% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.00% | 92.62% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.37% | 97.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.20% | 95.89% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 80.12% | 91.81% |
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.
| Piper auritum |
| PubChem | 21574240 |
| LOTUS | LTS0198848 |
| wikiData | Q105348229 |