Hexyl 3-(4-hydroxyphenyl)prop-2-enoate
| Internal ID | 2f9bc313-56f2-496d-bc20-568d7a8c4ff6 |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Hydroxycinnamic acid esters > Coumaric acid esters |
| IUPAC Name | hexyl 3-(4-hydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | CCCCCCOC(=O)C=CC1=CC=C(C=C1)O |
| SMILES (Isomeric) | CCCCCCOC(=O)C=CC1=CC=C(C=C1)O |
| InChI | InChI=1S/C15H20O3/c1-2-3-4-5-12-18-15(17)11-8-13-6-9-14(16)10-7-13/h6-11,16H,2-5,12H2,1H3 |
| InChI Key | AGXFGQBFMFJFCD-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H20O3 |
| Molecular Weight | 248.32 g/mol |
| Exact Mass | 248.14124450 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 4.20 |
| SCHEMBL18406246 |
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.41% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.32% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.76% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.52% | 98.95% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 90.97% | 98.35% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.38% | 96.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 89.38% | 92.08% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.07% | 91.11% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 88.91% | 91.71% |
| CHEMBL3194 | P02766 | Transthyretin | 88.91% | 90.71% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 83.85% | 97.29% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.74% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.64% | 94.45% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.27% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.70% | 93.56% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 80.39% | 80.78% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.26% | 94.73% |
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.
| Buddleja crispa |
| PubChem | 53642341 |
| LOTUS | LTS0228033 |
| wikiData | Q104912078 |