5-(4-Acetyl-5-hydroxy-2-methylphenyl)-5-hydroxypentan-2-one
| Internal ID | 5bb6a5e8-0db1-4071-a10e-7eb1e7bc0c04 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones |
| IUPAC Name | 5-(4-acetyl-5-hydroxy-2-methylphenyl)-5-hydroxypentan-2-one |
| SMILES (Canonical) | CC1=CC(=C(C=C1C(CCC(=O)C)O)O)C(=O)C |
| SMILES (Isomeric) | CC1=CC(=C(C=C1C(CCC(=O)C)O)O)C(=O)C |
| InChI | InChI=1S/C14H18O4/c1-8-6-12(10(3)16)14(18)7-11(8)13(17)5-4-9(2)15/h6-7,13,17-18H,4-5H2,1-3H3 |
| InChI Key | QNNPEQXNHPZIKG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H18O4 |
| Molecular Weight | 250.29 g/mol |
| Exact Mass | 250.12050905 g/mol |
| Topological Polar Surface Area (TPSA) | 74.60 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
| 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 | 96.88% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.13% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.66% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.89% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.89% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.64% | 99.17% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.43% | 83.82% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.37% | 96.00% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 84.10% | 93.18% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.84% | 99.15% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.51% | 90.71% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.47% | 97.21% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.67% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.34% | 98.75% |
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.
| Senecio glutinosus |
| PubChem | 15627959 |
| LOTUS | LTS0064698 |
| wikiData | Q105224563 |