1-[2,6-dihydroxy-4-[(E)-4-hydroxy-3-methylbut-2-enoxy]phenyl]-2-methylpropan-1-one
| Internal ID | 827bc02c-8754-4c36-8db5-418f8f6bce3f |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones |
| IUPAC Name | 1-[2,6-dihydroxy-4-[(E)-4-hydroxy-3-methylbut-2-enoxy]phenyl]-2-methylpropan-1-one |
| SMILES (Canonical) | CC(C)C(=O)C1=C(C=C(C=C1O)OCC=C(C)CO)O |
| SMILES (Isomeric) | CC(C)C(=O)C1=C(C=C(C=C1O)OC/C=C(\C)/CO)O |
| InChI | InChI=1S/C15H20O5/c1-9(2)15(19)14-12(17)6-11(7-13(14)18)20-5-4-10(3)8-16/h4,6-7,9,16-18H,5,8H2,1-3H3/b10-4+ |
| InChI Key | IHKXYZOAQLKZJG-ONNFQVAWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H20O5 |
| Molecular Weight | 280.32 g/mol |
| Exact Mass | 280.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of 1-[2,6-dihydroxy-4-[(E)-4-hydroxy-3-methylbut-2-enoxy]phenyl]-2-methylpropan-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/1-26-dihydroxy-4-e-4-hydroxy-3-methylbut-2-enoxyphenyl-2-methylpropan-1-one.jpg "2D Structure of 1-[2,6-dihydroxy-4-[(E)-4-hydroxy-3-methylbut-2-enoxy]phenyl]-2-methylpropan-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.08% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.01% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.98% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.90% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.21% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.58% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.28% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.85% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.94% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.92% | 89.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.81% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.73% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.56% | 98.75% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.24% | 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.
| Helichrysum asperum |
| PubChem | 14282612 |
| LOTUS | LTS0201532 |
| wikiData | Q105113103 |