5-[2-(4-Methoxyphenyl)ethenyl]benzene-1,3-diol
| Internal ID | 466323b9-b0b6-410f-85df-48ccb5402a83 |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes |
| IUPAC Name | 5-[2-(4-methoxyphenyl)ethenyl]benzene-1,3-diol |
| SMILES (Canonical) | COC1=CC=C(C=C1)C=CC2=CC(=CC(=C2)O)O |
| SMILES (Isomeric) | COC1=CC=C(C=C1)C=CC2=CC(=CC(=C2)O)O |
| InChI | InChI=1S/C15H14O3/c1-18-15-6-4-11(5-7-15)2-3-12-8-13(16)10-14(17)9-12/h2-10,16-17H,1H3 |
| InChI Key | IHVRWFJGOIWMGC-UHFFFAOYSA-N |
| Popularity | 19 references in papers |
| Molecular Formula | C15H14O3 |
| Molecular Weight | 242.27 g/mol |
| Exact Mass | 242.094294304 g/mol |
| Topological Polar Surface Area (TPSA) | 49.70 Ų |
| XlogP | 3.50 |
| 65728-21-4 |
| Spectrum_001473 |
| SpecPlus_000119 |
| 5-[2-(4-Methoxyphenyl)ethenyl]-1,3-benzenediol |
| Spectrum2_000046 |
| Spectrum3_001927 |
| Spectrum4_001745 |
| 5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene-1,3-diol |
| KBioGR_002190 |
| KBioSS_001953 |
| There are more than 10 synonyms. If you wish to see them all click here. |
![2D Structure of 5-[2-(4-Methoxyphenyl)ethenyl]benzene-1,3-diol](https://plantaedb.com/storage/docs/compounds/2023/11/5-2-4-methoxyphenylethenylbenzene-13-diol.jpg "2D Structure of 5-[2-(4-Methoxyphenyl)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 |
|---|---|---|---|---|---|
| CHEMBL4878 | Q16678 | Cytochrome P450 1B1 |
800 nM |
IC50 |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.78% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.80% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.39% | 96.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.59% | 90.00% |
| CHEMBL3194 | P02766 | Transthyretin | 89.75% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.49% | 86.33% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 89.08% | 96.12% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.56% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.64% | 93.99% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.27% | 99.17% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.20% | 91.49% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.29% | 99.15% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 80.72% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.29% | 94.73% |
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.
| Dracaena cochinchinensis |
| Knema austrosiamensis |
| Rheum australe |
| Rheum rhabarbarum |
| Rumex bucephalophorus |
| PubChem | 5040205 |
| LOTUS | LTS0140648 |
| wikiData | Q27187515 |