1-(2-Hydroxy-4,6-dimethoxyphenyl)-1,3-butanedione
| Internal ID | d2fb14a6-cfbb-4fe6-a648-e1fa16735f25 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones |
| IUPAC Name | 1-(2-hydroxy-4,6-dimethoxyphenyl)butane-1,3-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C12H14O5/c1-7(13)4-9(14)12-10(15)5-8(16-2)6-11(12)17-3/h5-6,15H,4H2,1-3H3 |
| InChI Key | HSRZGMDZNNYWBS-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C12H14O5 |
| Molecular Weight | 238.24 g/mol |
| Exact Mass | 238.08412354 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 1.60 |
| 1-(2-Hydroxy-4,6-dimethoxyphenyl)-1,3-butanedione |
| CHEMBL1995021 |
| NSC-631974 |
| NCI60_010546 |
| 1-(2-hydroxy-4,6-dimethoxy-phenyl)butane-1,3-dione |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.68% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.22% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.47% | 83.82% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.14% | 85.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.90% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.82% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.64% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.57% | 99.15% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.00% | 94.73% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.41% | 98.75% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 84.06% | 90.20% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.89% | 91.07% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.62% | 96.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.72% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.02% | 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.
| Hymenophyton flabellatum |
| PubChem | 365039 |
| LOTUS | LTS0230403 |
| wikiData | Q105033216 |