Butyl phenylacetate
| Internal ID | 12c395fd-ccde-4ce5-add5-76583e18489c |
| Taxonomy | Benzenoids > Benzene and substituted derivatives |
| IUPAC Name | butyl 2-phenylacetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C12H16O2/c1-2-3-9-14-12(13)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3 |
| InChI Key | LDOXTQYWWYXYSQ-UHFFFAOYSA-N |
| Popularity | 18 references in papers |
| Molecular Formula | C12H16O2 |
| Molecular Weight | 192.25 g/mol |
| Exact Mass | 192.115029749 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 3.20 |
| butyl 2-phenylacetate |
| 122-43-0 |
| Benzeneacetic acid, butyl ester |
| n-Butyl phenylacetate |
| Butyl benzene acetate |
| Butyl alpha-toluate |
| Butyl benzeneacetate |
| Butyl phenylethanoate |
| ACETIC ACID, PHENYL-, BUTYL ESTER |
| Phenylethanoic acid butyl ester |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.93% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.12% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.77% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.27% | 99.17% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 92.00% | 94.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.48% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.26% | 95.56% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 84.15% | 92.08% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.44% | 95.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.40% | 94.73% |
| CHEMBL3891 | P07384 | Calpain 1 | 81.19% | 93.04% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 80.58% | 92.67% |
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 | 31210 |
| LOTUS | LTS0073885 |
| wikiData | Q27290201 |