4-[[4-[[4-(Hydroxymethyl)phenoxy]methyl]phenoxy]methyl]phenol
| Internal ID | cf234c76-06ac-442f-9ced-3d54cb4a8815 |
| Taxonomy | Benzenoids > Phenol ethers |
| IUPAC Name | 4-[[4-[[4-(hydroxymethyl)phenoxy]methyl]phenoxy]methyl]phenol |
| SMILES (Canonical) | C1=CC(=CC=C1CO)OCC2=CC=C(C=C2)OCC3=CC=C(C=C3)O |
| SMILES (Isomeric) | C1=CC(=CC=C1CO)OCC2=CC=C(C=C2)OCC3=CC=C(C=C3)O |
| InChI | InChI=1S/C21H20O4/c22-13-16-3-9-20(10-4-16)25-15-18-5-11-21(12-6-18)24-14-17-1-7-19(23)8-2-17/h1-12,22-23H,13-15H2 |
| InChI Key | WYPKBXRUYBXARO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H20O4 |
| Molecular Weight | 336.40 g/mol |
| Exact Mass | 336.13615911 g/mol |
| Topological Polar Surface Area (TPSA) | 58.90 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of 4-[[4-[[4-(Hydroxymethyl)phenoxy]methyl]phenoxy]methyl]phenol](https://plantaedb.com/storage/docs/compounds/2023/11/4-4-4-hydroxymethylphenoxymethylphenoxymethylphenol.jpg "2D Structure of 4-[[4-[[4-(Hydroxymethyl)phenoxy]methyl]phenoxy]methyl]phenol")
| 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 | 96.19% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.09% | 90.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.37% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.75% | 94.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 89.23% | 91.71% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 88.26% | 92.67% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 87.58% | 89.67% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 87.48% | 98.35% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.06% | 96.09% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 86.40% | 92.51% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 86.36% | 93.10% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 86.34% | 94.97% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 84.42% | 94.62% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.79% | 99.15% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 81.76% | 86.92% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 81.44% | 92.68% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.26% | 98.95% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 81.12% | 97.53% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.10% | 97.09% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 80.77% | 93.81% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.01% | 95.89% |
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.
| Gastrodia elata |
| PubChem | 101182041 |
| LOTUS | LTS0058607 |
| wikiData | Q105322466 |