(2R)-1-[2,6-dihydroxy-4-[(E)-4-hydroxy-3-methylbut-2-enoxy]phenyl]-2-methylbutan-1-one
| Internal ID | faa485ff-7766-4c20-abab-4349ac752dfb |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones |
| IUPAC Name | (2R)-1-[2,6-dihydroxy-4-[(E)-4-hydroxy-3-methylbut-2-enoxy]phenyl]-2-methylbutan-1-one |
| SMILES (Canonical) | CCC(C)C(=O)C1=C(C=C(C=C1O)OCC=C(C)CO)O |
| SMILES (Isomeric) | CC[C@@H](C)C(=O)C1=C(C=C(C=C1O)OC/C=C(\C)/CO)O |
| InChI | InChI=1S/C16H22O5/c1-4-11(3)16(20)15-13(18)7-12(8-14(15)19)21-6-5-10(2)9-17/h5,7-8,11,17-19H,4,6,9H2,1-3H3/b10-5+/t11-/m1/s1 |
| InChI Key | UAUIMUAUJLWUSY-IGLBNKAOSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C16H22O5 |
| Molecular Weight | 294.34 g/mol |
| Exact Mass | 294.14672380 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of (2R)-1-[2,6-dihydroxy-4-[(E)-4-hydroxy-3-methylbut-2-enoxy]phenyl]-2-methylbutan-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/2r-1-26-dihydroxy-4-e-4-hydroxy-3-methylbut-2-enoxyphenyl-2-methylbutan-1-one.jpg "2D Structure of (2R)-1-[2,6-dihydroxy-4-[(E)-4-hydroxy-3-methylbut-2-enoxy]phenyl]-2-methylbutan-1-one")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 95.88% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.02% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.96% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.47% | 99.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.69% | 99.15% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.60% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.98% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.50% | 94.45% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 85.58% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.46% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.11% | 86.33% |
| CHEMBL3286 | P00749 | Urokinase-type plasminogen activator | 83.47% | 97.88% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.54% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.41% | 98.75% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.32% | 91.71% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.22% | 96.95% |
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.
| Helichrysum asperum |
| PubChem | 163193619 |
| LOTUS | LTS0136884 |
| wikiData | Q105269086 |