Phenol, 4-[3-(benzoyloxy)-1-propenyl]-2-methoxy-
| Internal ID | 8cc98407-1863-4912-ac2c-951e79e9cadb |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Benzoic acid esters |
| IUPAC Name | 3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl benzoate |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C=CCOC(=O)C2=CC=CC=C2)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)C=CCOC(=O)C2=CC=CC=C2)O |
| InChI | InChI=1S/C17H16O4/c1-20-16-12-13(9-10-15(16)18)6-5-11-21-17(19)14-7-3-2-4-8-14/h2-10,12,18H,11H2,1H3 |
| InChI Key | LAAPRQODJPXAHC-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C17H16O4 |
| Molecular Weight | 284.31 g/mol |
| Exact Mass | 284.10485899 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 3.50 |
| 4159-29-9 |
| 3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl benzoate |
| SCHEMBL157743 |
| DTXSID20863331 |
| 3-(4-HYDROXY-3-METHOXYPHENYL)PROP-2-EN-1-YL BENZOATE |
![2D Structure of Phenol, 4-[3-(benzoyloxy)-1-propenyl]-2-methoxy-](https://plantaedb.com/storage/docs/compounds/2023/11/phenol-4-3-benzoyloxy-1-propenyl-2-methoxy-.jpg "2D Structure of Phenol, 4-[3-(benzoyloxy)-1-propenyl]-2-methoxy-")
| 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 |
|---|---|---|---|---|
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.75% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.45% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.89% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.18% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.75% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.21% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.95% | 98.75% |
| CHEMBL3194 | P02766 | Transthyretin | 89.04% | 90.71% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.22% | 95.50% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 84.88% | 90.20% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.73% | 91.49% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.70% | 90.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 82.80% | 91.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.51% | 98.95% |
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.
| Styrax benzoin |
| PubChem | 165188 |
| LOTUS | LTS0072286 |
| wikiData | Q105148536 |