4-[(E)-5-(4-methoxyphenoxy)pent-3-en-1-ynyl]phenol
| Internal ID | e03c314a-a765-4830-a72d-9a4004f804b8 |
| Taxonomy | Benzenoids > Phenol ethers > Anisoles |
| IUPAC Name | 4-[(E)-5-(4-methoxyphenoxy)pent-3-en-1-ynyl]phenol |
| SMILES (Canonical) | COC1=CC=C(C=C1)OCC=CC#CC2=CC=C(C=C2)O |
| SMILES (Isomeric) | COC1=CC=C(C=C1)OC/C=C/C#CC2=CC=C(C=C2)O |
| InChI | InChI=1S/C18H16O3/c1-20-17-10-12-18(13-11-17)21-14-4-2-3-5-15-6-8-16(19)9-7-15/h2,4,6-13,19H,14H2,1H3/b4-2+ |
| InChI Key | MYCBDFJVVJREPO-DUXPYHPUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H16O3 |
| Molecular Weight | 280.30 g/mol |
| Exact Mass | 280.109944368 g/mol |
| Topological Polar Surface Area (TPSA) | 38.70 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of 4-[(E)-5-(4-methoxyphenoxy)pent-3-en-1-ynyl]phenol](https://plantaedb.com/storage/docs/compounds/2023/11/4-e-5-4-methoxyphenoxypent-3-en-1-ynylphenol.jpg "2D Structure of 4-[(E)-5-(4-methoxyphenoxy)pent-3-en-1-ynyl]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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.84% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.82% | 96.09% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 93.53% | 98.35% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 93.39% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.45% | 99.17% |
| CHEMBL2487 | P05067 | Beta amyloid A4 protein | 92.33% | 96.74% |
| CHEMBL240 | Q12809 | HERG | 89.35% | 89.76% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.67% | 86.33% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.53% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.22% | 95.56% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 84.86% | 93.10% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 83.97% | 94.97% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.52% | 99.15% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.45% | 98.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.22% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.79% | 94.00% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 82.61% | 97.53% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.67% | 96.00% |
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.
| Asparagus officinalis |
| PubChem | 10107705 |
| LOTUS | LTS0191751 |
| wikiData | Q105174788 |