Gentisyl alcohol
| Internal ID | 3ebfe16d-21e0-409f-b228-b8858dbec41a |
| Taxonomy | Benzenoids > Phenols > Benzenediols > Hydroquinones |
| IUPAC Name | 2-(hydroxymethyl)benzene-1,4-diol |
| SMILES (Canonical) | C1=CC(=C(C=C1O)CO)O |
| SMILES (Isomeric) | C1=CC(=C(C=C1O)CO)O |
| InChI | InChI=1S/C7H8O3/c8-4-5-3-6(9)1-2-7(5)10/h1-3,8-10H,4H2 |
| InChI Key | PUZSUVGRVHEUQO-UHFFFAOYSA-N |
| Popularity | 79 references in papers |
| Molecular Formula | C7H8O3 |
| Molecular Weight | 140.14 g/mol |
| Exact Mass | 140.047344113 g/mol |
| Topological Polar Surface Area (TPSA) | 60.70 Ų |
| XlogP | 0.70 |
| 2-(hydroxymethyl)benzene-1,4-diol |
| 495-08-9 |
| 2,5-Dihydroxybenzyl alcohol |
| Salirepol |
| 3,6-Dihydroxybenzyl alcohol |
| 2-(hydroxymethyl)-1,4-benzenediol |
| gentisin alcohol |
| 1,4-Benzenediol, 2-(hydroxymethyl)- |
| T8T2WY38GH |
| CHEBI:5325 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.30% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.11% | 99.15% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 86.34% | 91.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.31% | 96.09% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 84.26% | 98.35% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.94% | 90.00% |
| CHEMBL3194 | P02766 | Transthyretin | 82.97% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.86% | 95.56% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 81.63% | 93.10% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.14% | 98.95% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.08% | 93.99% |
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 | 188287 |
| LOTUS | LTS0101729 |
| wikiData | Q27106721 |