5-Decyl-3-[2,3-di(propan-2-yloxy)propyl]oxolan-2-one
| Internal ID | 3dce76a7-c531-4a75-a3b9-e7936ceb8e7d |
| Taxonomy | Organoheterocyclic compounds > Lactones > Gamma butyrolactones |
| IUPAC Name | 5-decyl-3-[2,3-di(propan-2-yloxy)propyl]oxolan-2-one |
| SMILES (Canonical) | CCCCCCCCCCC1CC(C(=O)O1)CC(COC(C)C)OC(C)C |
| SMILES (Isomeric) | CCCCCCCCCCC1CC(C(=O)O1)CC(COC(C)C)OC(C)C |
| InChI | InChI=1S/C23H44O4/c1-6-7-8-9-10-11-12-13-14-21-15-20(23(24)27-21)16-22(26-19(4)5)17-25-18(2)3/h18-22H,6-17H2,1-5H3 |
| InChI Key | MYMFCHCZTRGHCN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H44O4 |
| Molecular Weight | 384.60 g/mol |
| Exact Mass | 384.32395988 g/mol |
| Topological Polar Surface Area (TPSA) | 44.80 Ų |
| XlogP | 7.10 |
| There are no found synonyms. |
![2D Structure of 5-Decyl-3-[2,3-di(propan-2-yloxy)propyl]oxolan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/5-decyl-3-23-dipropan-2-yloxypropyloxolan-2-one.jpg "2D Structure of 5-Decyl-3-[2,3-di(propan-2-yloxy)propyl]oxolan-2-one")
| 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 |
|---|---|---|---|---|
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 95.19% | 89.63% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 93.37% | 97.79% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.32% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.88% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.67% | 96.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 89.88% | 97.29% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.36% | 97.09% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 89.35% | 85.94% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 89.29% | 90.24% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.88% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.29% | 93.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.74% | 90.08% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.47% | 100.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 85.36% | 98.03% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.33% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.16% | 91.11% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 83.59% | 92.08% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.55% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.51% | 94.45% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.32% | 92.50% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.83% | 93.31% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 80.39% | 80.33% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 80.26% | 95.58% |
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.
| Sextonia rubra |
| PubChem | 162929241 |
| LOTUS | LTS0078124 |
| wikiData | Q104172173 |