1-methoxy-4-[(E)-5-(4-methoxyphenoxy)pent-3-en-1-ynyl]benzene
| Internal ID | 26af7dbb-6a7d-494d-9a35-accd3888d391 |
| Taxonomy | Benzenoids > Phenol ethers > Anisoles |
| IUPAC Name | 1-methoxy-4-[(E)-5-(4-methoxyphenoxy)pent-3-en-1-ynyl]benzene |
| SMILES (Canonical) | COC1=CC=C(C=C1)C#CC=CCOC2=CC=C(C=C2)OC |
| SMILES (Isomeric) | COC1=CC=C(C=C1)C#C/C=C/COC2=CC=C(C=C2)OC |
| InChI | InChI=1S/C19H18O3/c1-20-17-9-7-16(8-10-17)6-4-3-5-15-22-19-13-11-18(21-2)12-14-19/h3,5,7-14H,15H2,1-2H3/b5-3+ |
| InChI Key | ZWOWJNDTICMQMK-HWKANZROSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H18O3 |
| Molecular Weight | 294.30 g/mol |
| Exact Mass | 294.125594432 g/mol |
| Topological Polar Surface Area (TPSA) | 27.70 Ų |
| XlogP | 4.40 |
| 166762-96-5 |
| Benzene, 1-methoxy-4-[(3E)-5-(4-methoxyphenoxy)-3-penten-1-ynyl]- |
![2D Structure of 1-methoxy-4-[(E)-5-(4-methoxyphenoxy)pent-3-en-1-ynyl]benzene](https://plantaedb.com/storage/docs/compounds/2023/11/1-methoxy-4-e-5-4-methoxyphenoxypent-3-en-1-ynylbenzene.jpg "2D Structure of 1-methoxy-4-[(E)-5-(4-methoxyphenoxy)pent-3-en-1-ynyl]benzene")
| 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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 95.51% | 89.76% |
| CHEMBL2487 | P05067 | Beta amyloid A4 protein | 93.99% | 96.74% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.66% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.35% | 90.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.03% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.30% | 96.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 88.78% | 93.31% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.35% | 90.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.05% | 99.17% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.85% | 93.99% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.59% | 86.33% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 83.60% | 97.53% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.37% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.84% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.17% | 94.00% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 80.70% | 90.24% |
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 | 9994590 |
| LOTUS | LTS0231463 |
| wikiData | Q105385098 |