3-(4-hydroxyphenyl)propyl Benzoate
| Internal ID | 72d9afea-67cb-4354-8e3e-6313e2be40da |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Benzoic acid esters |
| IUPAC Name | 3-(4-hydroxyphenyl)propyl benzoate |
| SMILES (Canonical) | C1=CC=C(C=C1)C(=O)OCCCC2=CC=C(C=C2)O |
| SMILES (Isomeric) | C1=CC=C(C=C1)C(=O)OCCCC2=CC=C(C=C2)O |
| InChI | InChI=1S/C16H16O3/c17-15-10-8-13(9-11-15)5-4-12-19-16(18)14-6-2-1-3-7-14/h1-3,6-11,17H,4-5,12H2 |
| InChI Key | QBHHTJCUYIXPJE-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C16H16O3 |
| Molecular Weight | 256.30 g/mol |
| Exact Mass | 256.109944368 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 4.10 |
| Benzenepropanol, 4-hydroxy-, benzoate |
| 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 |
|---|---|---|---|---|
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 96.99% | 94.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.19% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.64% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.42% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.49% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.53% | 98.75% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.51% | 96.95% |
| CHEMBL3891 | P07384 | Calpain 1 | 84.04% | 93.04% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.62% | 95.50% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 83.51% | 91.71% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 81.88% | 92.67% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 80.71% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.16% | 95.56% |
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.
| Croton hutchinsonianus |
| PubChem | 11708658 |
| LOTUS | LTS0118798 |
| wikiData | Q105217791 |