1-[4-hydroxy-3-[(1E)-3-methylbuta-1,3-dienyl]phenyl]ethanone
| Internal ID | 37d63648-3f8d-40a9-a464-c5a2466d5b08 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones |
| IUPAC Name | 1-[4-hydroxy-3-[(1E)-3-methylbuta-1,3-dienyl]phenyl]ethanone |
| SMILES (Canonical) | CC(=C)C=CC1=C(C=CC(=C1)C(=O)C)O |
| SMILES (Isomeric) | CC(=C)/C=C/C1=C(C=CC(=C1)C(=O)C)O |
| InChI | InChI=1S/C13H14O2/c1-9(2)4-5-12-8-11(10(3)14)6-7-13(12)15/h4-8,15H,1H2,2-3H3/b5-4+ |
| InChI Key | SCUHPQYPFVPSQV-SNAWJCMRSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C13H14O2 |
| Molecular Weight | 202.25 g/mol |
| Exact Mass | 202.099379685 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of 1-[4-hydroxy-3-[(1E)-3-methylbuta-1,3-dienyl]phenyl]ethanone](https://plantaedb.com/storage/docs/compounds/2023/11/1-4-hydroxy-3-1e-3-methylbuta-13-dienylphenylethanone.jpg "2D Structure of 1-[4-hydroxy-3-[(1E)-3-methylbuta-1,3-dienyl]phenyl]ethanone")
| 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 | 97.22% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.00% | 91.49% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 93.03% | 98.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.63% | 86.33% |
| CHEMBL3194 | P02766 | Transthyretin | 89.23% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.39% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.84% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.24% | 95.56% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 84.71% | 85.30% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.83% | 94.73% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.56% | 91.19% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.85% | 99.17% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.99% | 97.21% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.47% | 89.34% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.14% | 98.95% |
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.
| Helianthella uniflora |
| PubChem | 101414442 |
| LOTUS | LTS0137856 |
| wikiData | Q105250404 |