4-[(E,4S,5R)-5-ethoxy-5-(4-hydroxyphenyl)-4-(methoxymethyl)pent-1-enyl]phenol
| Internal ID | d1dd909a-cff1-4d1f-89af-ab25436bfcea |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzylethers |
| IUPAC Name | 4-[(E,4S,5R)-5-ethoxy-5-(4-hydroxyphenyl)-4-(methoxymethyl)pent-1-enyl]phenol |
| SMILES (Canonical) | CCOC(C1=CC=C(C=C1)O)C(CC=CC2=CC=C(C=C2)O)COC |
| SMILES (Isomeric) | CCO[C@@H](C1=CC=C(C=C1)O)[C@@H](C/C=C/C2=CC=C(C=C2)O)COC |
| InChI | InChI=1S/C21H26O4/c1-3-25-21(17-9-13-20(23)14-10-17)18(15-24-2)6-4-5-16-7-11-19(22)12-8-16/h4-5,7-14,18,21-23H,3,6,15H2,1-2H3/b5-4+/t18-,21-/m0/s1 |
| InChI Key | OYQQRPCWFXPSTN-MWZYOKOPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H26O4 |
| Molecular Weight | 342.40 g/mol |
| Exact Mass | 342.18310931 g/mol |
| Topological Polar Surface Area (TPSA) | 58.90 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of 4-[(E,4S,5R)-5-ethoxy-5-(4-hydroxyphenyl)-4-(methoxymethyl)pent-1-enyl]phenol](https://plantaedb.com/storage/docs/compounds/2023/11/4-e4s5r-5-ethoxy-5-4-hydroxyphenyl-4-methoxymethylpent-1-enylphenol.jpg "2D Structure of 4-[(E,4S,5R)-5-ethoxy-5-(4-hydroxyphenyl)-4-(methoxymethyl)pent-1-enyl]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 |
|---|---|---|---|---|
| CHEMBL242 | Q92731 | Estrogen receptor beta | 97.85% | 98.35% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 96.98% | 91.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.77% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.00% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.14% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.63% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.34% | 96.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.19% | 89.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.07% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.95% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.64% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.52% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.94% | 90.00% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 82.40% | 92.68% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 81.80% | 93.10% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 81.78% | 89.67% |
| CHEMBL3194 | P02766 | Transthyretin | 81.53% | 90.71% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.18% | 95.93% |
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.
| Alpinia officinarum |
| PubChem | 101749132 |
| LOTUS | LTS0180999 |
| wikiData | Q105203492 |