Benzyl 2,5-dihydroxybenzoate
| Internal ID | 7966444d-1346-413c-bb2c-d924351add29 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Benzoic acid esters > m-Hydroxybenzoic acid esters |
| IUPAC Name | benzyl 2,5-dihydroxybenzoate |
| SMILES (Canonical) | C1=CC=C(C=C1)COC(=O)C2=C(C=CC(=C2)O)O |
| SMILES (Isomeric) | C1=CC=C(C=C1)COC(=O)C2=C(C=CC(=C2)O)O |
| InChI | InChI=1S/C14H12O4/c15-11-6-7-13(16)12(8-11)14(17)18-9-10-4-2-1-3-5-10/h1-8,15-16H,9H2 |
| InChI Key | LRYANVPYFCKCCR-UHFFFAOYSA-N |
| Popularity | 7 references in papers |
| Molecular Formula | C14H12O4 |
| Molecular Weight | 244.24 g/mol |
| Exact Mass | 244.07355886 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 3.10 |
| benzyl gentisate |
| trichocarpinene |
| trichocarpigenin |
| phenylmethyl 2,5-dihydroxybenzoate |
| 2,5-Dihydroxybenzoic acid benzyl ester |
| SCHEMBL1655944 |
| CHEBI:155896 |
| AKOS024390278 |
| 21782-87-6 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 95.52% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.93% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.27% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.07% | 99.17% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 90.57% | 94.62% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 89.84% | 92.67% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.79% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.25% | 99.15% |
| CHEMBL3891 | P07384 | Calpain 1 | 89.21% | 93.04% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.56% | 95.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.00% | 95.50% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 85.92% | 91.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.39% | 98.75% |
| CHEMBL3202 | P48147 | Prolyl endopeptidase | 83.33% | 90.65% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.97% | 90.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.79% | 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.
| Populus balsamifera |
| PubChem | 11322503 |
| LOTUS | LTS0055711 |
| wikiData | Q105156389 |