4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-(3-methylbut-2-enyl)phenol
| Internal ID | db7b15b8-20cb-4579-82f4-80126760a936 |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes |
| IUPAC Name | 4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-(3-methylbut-2-enyl)phenol |
| SMILES (Canonical) | CC(=CCC1=C(C=CC(=C1)C=CC2=CC(=CC(=C2)OC)OC)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=CC(=C1)/C=C/C2=CC(=CC(=C2)OC)OC)O)C |
| InChI | InChI=1S/C21H24O3/c1-15(2)5-9-18-11-16(8-10-21(18)22)6-7-17-12-19(23-3)14-20(13-17)24-4/h5-8,10-14,22H,9H2,1-4H3/b7-6+ |
| InChI Key | CJVQNYVZQLPJNU-VOTSOKGWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H24O3 |
| Molecular Weight | 324.40 g/mol |
| Exact Mass | 324.17254462 g/mol |
| Topological Polar Surface Area (TPSA) | 38.70 Ų |
| XlogP | 5.70 |
| There are no found synonyms. |
![2D Structure of 4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-(3-methylbut-2-enyl)phenol](https://plantaedb.com/storage/docs/compounds/2023/11/4-e-2-35-dimethoxyphenylethenyl-2-3-methylbut-2-enylphenol.jpg "2D Structure of 4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-(3-methylbut-2-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.22% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 96.46% | 96.00% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 95.03% | 92.68% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 94.35% | 96.12% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.58% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.15% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.05% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.11% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.05% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.60% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 86.02% | 95.93% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.40% | 98.95% |
| CHEMBL3194 | P02766 | Transthyretin | 85.12% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.57% | 90.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.06% | 85.14% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 81.97% | 90.24% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.32% | 99.17% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.11% | 91.71% |
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.
| Deguelia rufescens |
| PubChem | 49788782 |
| LOTUS | LTS0071182 |
| wikiData | Q104961768 |