3-Hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)butan-1-one
| Internal ID | 6efeb88f-3f8a-4672-80d4-db0b9c164072 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones |
| IUPAC Name | 3-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)butan-1-one |
| SMILES (Canonical) | CC(CC(=O)C1=C(C=C(C=C1OC)OC)O)O |
| SMILES (Isomeric) | CC(CC(=O)C1=C(C=C(C=C1OC)OC)O)O |
| InChI | InChI=1S/C12H16O5/c1-7(13)4-9(14)12-10(15)5-8(16-2)6-11(12)17-3/h5-7,13,15H,4H2,1-3H3 |
| InChI Key | MWSFJTCZFKZJIL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C12H16O5 |
| Molecular Weight | 240.25 g/mol |
| Exact Mass | 240.09977361 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 1.40 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.04% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.73% | 85.14% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.14% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 93.64% | 90.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.26% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.29% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.20% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.08% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.19% | 98.75% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.36% | 96.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.09% | 94.45% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 84.33% | 90.20% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.92% | 91.07% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.73% | 94.73% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.88% | 95.89% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.47% | 95.50% |
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 | 74959454 |
| LOTUS | LTS0046491 |
| wikiData | Q105173751 |