4-[[4-(Phenoxymethyl)phenoxy]methyl]phenol
| Internal ID | 6a836329-24e1-427b-af6b-28019773badd |
| Taxonomy | Benzenoids > Phenol ethers |
| IUPAC Name | 4-[[4-(phenoxymethyl)phenoxy]methyl]phenol |
| SMILES (Canonical) | C1=CC=C(C=C1)OCC2=CC=C(C=C2)OCC3=CC=C(C=C3)O |
| SMILES (Isomeric) | C1=CC=C(C=C1)OCC2=CC=C(C=C2)OCC3=CC=C(C=C3)O |
| InChI | InChI=1S/C20H18O3/c21-18-10-6-16(7-11-18)14-23-20-12-8-17(9-13-20)15-22-19-4-2-1-3-5-19/h1-13,21H,14-15H2 |
| InChI Key | LVHLVSHFDOOSSD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H18O3 |
| Molecular Weight | 306.40 g/mol |
| Exact Mass | 306.125594432 g/mol |
| Topological Polar Surface Area (TPSA) | 38.70 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of 4-[[4-(Phenoxymethyl)phenoxy]methyl]phenol](https://plantaedb.com/storage/docs/compounds/2023/11/4-4-phenoxymethylphenoxymethylphenol.jpg "2D Structure of 4-[[4-(Phenoxymethyl)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 |
|---|---|---|---|---|
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 97.05% | 94.62% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 96.04% | 92.67% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.89% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.17% | 91.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.42% | 90.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 88.07% | 91.71% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 87.69% | 94.97% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 87.15% | 92.51% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 86.50% | 93.81% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.98% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.82% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.77% | 96.09% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 85.58% | 97.53% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.49% | 95.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.38% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.15% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.01% | 94.00% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 83.27% | 89.67% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 82.50% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.34% | 98.75% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 81.91% | 92.68% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 80.80% | 98.35% |
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 | 163192565 |
| LOTUS | LTS0268192 |
| wikiData | Q105157855 |