5-[2-[4-Hydroxy-3-(3-methylbuta-1,3-dienyl)phenyl]ethenyl]benzene-1,3-diol
| Internal ID | 1cb3bf48-ece6-40e6-a6a8-b3810a472bf6 |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes |
| IUPAC Name | 5-[2-[4-hydroxy-3-(3-methylbuta-1,3-dienyl)phenyl]ethenyl]benzene-1,3-diol |
| SMILES (Canonical) | CC(=C)C=CC1=C(C=CC(=C1)C=CC2=CC(=CC(=C2)O)O)O |
| SMILES (Isomeric) | CC(=C)C=CC1=C(C=CC(=C1)C=CC2=CC(=CC(=C2)O)O)O |
| InChI | InChI=1S/C19H18O3/c1-13(2)3-7-16-9-14(6-8-19(16)22)4-5-15-10-17(20)12-18(21)11-15/h3-12,20-22H,1H2,2H3 |
| InChI Key | MNTCXQWBUINPSP-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H18O3 |
| Molecular Weight | 294.30 g/mol |
| Exact Mass | 294.125594432 g/mol |
| Topological Polar Surface Area (TPSA) | 60.70 Ų |
| XlogP | 5.20 |
| There are no found synonyms. |
![2D Structure of 5-[2-[4-Hydroxy-3-(3-methylbuta-1,3-dienyl)phenyl]ethenyl]benzene-1,3-diol](https://plantaedb.com/storage/docs/compounds/2023/11/5-2-4-hydroxy-3-3-methylbuta-13-dienylphenylethenylbenzene-13-diol.jpg "2D Structure of 5-[2-[4-Hydroxy-3-(3-methylbuta-1,3-dienyl)phenyl]ethenyl]benzene-1,3-diol")
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.16% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.71% | 91.11% |
| CHEMBL3194 | P02766 | Transthyretin | 95.34% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.02% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.89% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.83% | 86.33% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 88.53% | 98.35% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 88.00% | 98.11% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 87.91% | 96.12% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.11% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.83% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.74% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.15% | 98.95% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 82.66% | 80.78% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 80.53% | 92.68% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.04% | 99.15% |
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.
| Arachis hypogaea |
| PubChem | 72726449 |
| LOTUS | LTS0100271 |
| wikiData | Q105168570 |