2-Buten-1-one, 1-(2-hydroxy-5-(1-hydroxyethyl)phenyl)-3-methyl-
| Internal ID | bf0926f4-90e2-4f59-8df8-d8eb44f757f3 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoyl derivatives |
| IUPAC Name | 1-[2-hydroxy-5-(1-hydroxyethyl)phenyl]-3-methylbut-2-en-1-one |
| SMILES (Canonical) | CC(C1=CC(=C(C=C1)O)C(=O)C=C(C)C)O |
| SMILES (Isomeric) | CC(C1=CC(=C(C=C1)O)C(=O)C=C(C)C)O |
| InChI | InChI=1S/C13H16O3/c1-8(2)6-13(16)11-7-10(9(3)14)4-5-12(11)15/h4-7,9,14-15H,1-3H3 |
| InChI Key | BOYBLQMJGIRKDQ-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 | 2.80 |
| 2-Buten-1-one, 1-(2-hydroxy-5-(1-hydroxyethyl)phenyl)-3-methyl- |
| 1-[2-hydroxy-5-(1-hydroxyethyl)phenyl]-3-methylbut-2-en-1-one |
| DTXSID701000672 |
| 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 | 98.16% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.16% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.63% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.87% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.34% | 94.73% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.06% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.68% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.51% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.62% | 90.00% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 84.77% | 83.10% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.58% | 91.49% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.42% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.38% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.58% | 85.14% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.20% | 100.00% |
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.
| Calea cuneifolia |
| Calea trichotoma |
| Doronicum grandiflorum |
| Trichogonia grazielae |
| PubChem | 157563 |
| LOTUS | LTS0071014 |
| wikiData | Q82994368 |