1-[3-(2,3-Dihydroxy-3-methyl-butyl)-4-hydroxy-phenyl]ethanone
| Internal ID | a90a8f3b-14fd-4777-b3c5-300a7c543efd |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones |
| IUPAC Name | 1-[3-(2,3-dihydroxy-3-methylbutyl)-4-hydroxyphenyl]ethanone |
| SMILES (Canonical) | CC(=O)C1=CC(=C(C=C1)O)CC(C(C)(C)O)O |
| SMILES (Isomeric) | CC(=O)C1=CC(=C(C=C1)O)CC(C(C)(C)O)O |
| InChI | InChI=1S/C13H18O4/c1-8(14)9-4-5-11(15)10(6-9)7-12(16)13(2,3)17/h4-6,12,15-17H,7H2,1-3H3 |
| InChI Key | MVXOAXKXHPEDBB-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C13H18O4 |
| Molecular Weight | 238.28 g/mol |
| Exact Mass | 238.12050905 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 0.80 |
| 3-(2,3-Dihydroxy-3-methylbutyl)-4-hydroxyacetophenone |
| 1-[3-(2,3-dihydroxy-3-methyl-butyl)-4-hydroxy-phenyl]ethanone |
![2D Structure of 1-[3-(2,3-Dihydroxy-3-methyl-butyl)-4-hydroxy-phenyl]ethanone](https://plantaedb.com/storage/docs/compounds/2023/11/1-3-23-dihydroxy-3-methyl-butyl-4-hydroxy-phenylethanone.jpg "2D Structure of 1-[3-(2,3-Dihydroxy-3-methyl-butyl)-4-hydroxy-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 | 96.78% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.33% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.69% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.81% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.71% | 91.49% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 87.68% | 100.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.50% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.66% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.01% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.62% | 86.33% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.95% | 97.21% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.20% | 90.71% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.39% | 97.25% |
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.
| Xenophyllum ciliolatum |
| PubChem | 455700 |
| LOTUS | LTS0076622 |
| wikiData | Q105173425 |