5-[2-(4-Hydroxy-3-methoxyphenyl)ethenyl]-4-[(4-hydroxy-3-methylphenyl)methyl]benzene-1,3-diol
| Internal ID | dd5a59cb-5cac-4ebb-9767-b5e069df2889 |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes |
| IUPAC Name | 5-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-4-[(4-hydroxy-3-methylphenyl)methyl]benzene-1,3-diol |
| SMILES (Canonical) | CC1=C(C=CC(=C1)CC2=C(C=C(C=C2O)O)C=CC3=CC(=C(C=C3)O)OC)O |
| SMILES (Isomeric) | CC1=C(C=CC(=C1)CC2=C(C=C(C=C2O)O)C=CC3=CC(=C(C=C3)O)OC)O |
| InChI | InChI=1S/C23H22O5/c1-14-9-16(5-7-20(14)25)10-19-17(12-18(24)13-22(19)27)6-3-15-4-8-21(26)23(11-15)28-2/h3-9,11-13,24-27H,10H2,1-2H3 |
| InChI Key | DHWQRARMYMWAKZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H22O5 |
| Molecular Weight | 378.40 g/mol |
| Exact Mass | 378.14672380 g/mol |
| Topological Polar Surface Area (TPSA) | 90.20 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of 5-[2-(4-Hydroxy-3-methoxyphenyl)ethenyl]-4-[(4-hydroxy-3-methylphenyl)methyl]benzene-1,3-diol](https://plantaedb.com/storage/docs/compounds/2023/11/5-2-4-hydroxy-3-methoxyphenylethenyl-4-4-hydroxy-3-methylphenylmethylbenzene-13-diol.jpg "2D Structure of 5-[2-(4-Hydroxy-3-methoxyphenyl)ethenyl]-4-[(4-hydroxy-3-methylphenyl)methyl]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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.52% | 91.11% |
| CHEMBL3194 | P02766 | Transthyretin | 96.56% | 90.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.90% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.03% | 86.33% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 93.21% | 95.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.98% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.33% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.26% | 94.45% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 90.77% | 95.50% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 90.14% | 90.24% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 89.39% | 89.62% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.14% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.13% | 90.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.82% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.14% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.82% | 98.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.78% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.76% | 94.73% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.59% | 96.95% |
| CHEMBL2487 | P05067 | Beta amyloid A4 protein | 83.30% | 96.74% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 83.20% | 96.12% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.63% | 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.
| Gnetum pendulum |
| PubChem | 163077217 |
| LOTUS | LTS0263117 |
| wikiData | Q104980947 |