2-(Pentyloxy)ethyl acetate
| Internal ID | 02a68065-7ebf-4fa3-abb6-b33533f283ac |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Carboxylic acid derivatives > Carboxylic acid esters |
| IUPAC Name | 2-pentoxyethyl acetate |
| SMILES (Canonical) | CCCCCOCCOC(=O)C |
| SMILES (Isomeric) | CCCCCOCCOC(=O)C |
| InChI | InChI=1S/C9H18O3/c1-3-4-5-6-11-7-8-12-9(2)10/h3-8H2,1-2H3 |
| InChI Key | INRKVKPTZMIOTG-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C9H18O3 |
| Molecular Weight | 174.24 g/mol |
| Exact Mass | 174.125594432 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 1.80 |
| 2-Pentoxyethyl acetate |
| Ethanol, 2-(pentyloxy)-, acetate |
| SCHEMBL2689826 |
| 2-(1-pentyloxy)-ethyl acetate |
| CHEBI:87270 |
| INRKVKPTZMIOTG-UHFFFAOYSA-N |
| Q27159477 |
| 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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 96.60% | 89.76% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.77% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.70% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.69% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.59% | 99.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.03% | 96.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 88.26% | 97.29% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 85.61% | 96.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.36% | 100.00% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 84.21% | 85.94% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.16% | 94.45% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.11% | 94.33% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 81.84% | 89.05% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 81.43% | 86.67% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 81.41% | 87.45% |
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.
| Vitis vinifera |
| PubChem | 526912 |
| LOTUS | LTS0073187 |
| wikiData | Q27159477 |