Ethanone, 1-[4-hydroxy-3-(4-hydroxy-3-methyl-2-butenyl)phenyl]-
| Internal ID | 19ca3577-f142-4679-ae98-46173ea49a39 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones |
| IUPAC Name | 1-[4-hydroxy-3-(4-hydroxy-3-methylbut-2-enyl)phenyl]ethanone |
| SMILES (Canonical) | CC(=CCC1=C(C=CC(=C1)C(=O)C)O)CO |
| SMILES (Isomeric) | CC(=CCC1=C(C=CC(=C1)C(=O)C)O)CO |
| InChI | InChI=1S/C13H16O3/c1-9(8-14)3-4-12-7-11(10(2)15)5-6-13(12)16/h3,5-7,14,16H,4,8H2,1-2H3 |
| InChI Key | VJMQHXVUFSIHDR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C13H16O3 |
| Molecular Weight | 220.26 g/mol |
| Exact Mass | 220.109944368 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 1.90 |
| 68034-24-2 |
| DTXSID60345449 |
![2D Structure of Ethanone, 1-[4-hydroxy-3-(4-hydroxy-3-methyl-2-butenyl)phenyl]-](https://plantaedb.com/storage/docs/compounds/2023/11/ethanone-1-4-hydroxy-3-4-hydroxy-3-methyl-2-butenylphenyl-.jpg "2D Structure of Ethanone, 1-[4-hydroxy-3-(4-hydroxy-3-methyl-2-butenyl)phenyl]-")
| 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 | 96.73% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.38% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.59% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.43% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.86% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.52% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.45% | 90.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.56% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.57% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.32% | 98.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.09% | 96.09% |
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.
| Artemisia campestris |
| Sophora chrysophylla |
| PubChem | 604558 |
| LOTUS | LTS0169069 |
| wikiData | Q105176507 |