5-[(E)-3-methoxyprop-1-enyl]-3-(4-prop-2-enylphenoxy)benzene-1,2-diol
| Internal ID | e9628a53-70b1-47d3-abc8-d4e5ef256b4d |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Diphenylethers |
| IUPAC Name | 5-[(E)-3-methoxyprop-1-enyl]-3-(4-prop-2-enylphenoxy)benzene-1,2-diol |
| SMILES (Canonical) | COCC=CC1=CC(=C(C(=C1)OC2=CC=C(C=C2)CC=C)O)O |
| SMILES (Isomeric) | COC/C=C/C1=CC(=C(C(=C1)OC2=CC=C(C=C2)CC=C)O)O |
| InChI | InChI=1S/C19H20O4/c1-3-5-14-7-9-16(10-8-14)23-18-13-15(6-4-11-22-2)12-17(20)19(18)21/h3-4,6-10,12-13,20-21H,1,5,11H2,2H3/b6-4+ |
| InChI Key | CEMQKDFRANAKRT-GQCTYLIASA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H20O4 |
| Molecular Weight | 312.40 g/mol |
| Exact Mass | 312.13615911 g/mol |
| Topological Polar Surface Area (TPSA) | 58.90 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of 5-[(E)-3-methoxyprop-1-enyl]-3-(4-prop-2-enylphenoxy)benzene-1,2-diol](https://plantaedb.com/storage/docs/compounds/2023/07/5-e-3-methoxyprop-1-enyl-3-4-prop-2-enylphenoxybenzene-12-diol.jpg "2D Structure of 5-[(E)-3-methoxyprop-1-enyl]-3-(4-prop-2-enylphenoxy)benzene-1,2-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 | 98.57% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.65% | 91.49% |
| CHEMBL240 | Q12809 | HERG | 93.84% | 89.76% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.02% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.31% | 95.56% |
| CHEMBL3194 | P02766 | Transthyretin | 92.29% | 90.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.17% | 96.00% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 91.59% | 90.24% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.51% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.08% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.88% | 99.17% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 90.73% | 95.17% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 90.31% | 92.68% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.70% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.47% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.41% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.10% | 94.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 82.64% | 91.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.20% | 99.15% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.17% | 96.95% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 80.81% | 83.57% |
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compound!
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