4-Hydroxy-4-(4-hydroxy-3-methoxyphenyl)-3-methylbutan-2-one
| Internal ID | fc8df770-9dc0-418e-aead-e6ae899d87c9 |
| Taxonomy | Benzenoids > Phenols > Methoxyphenols |
| IUPAC Name | 4-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-3-methylbutan-2-one |
| SMILES (Canonical) | CC(C(C1=CC(=C(C=C1)O)OC)O)C(=O)C |
| SMILES (Isomeric) | CC(C(C1=CC(=C(C=C1)O)OC)O)C(=O)C |
| InChI | InChI=1S/C12H16O4/c1-7(8(2)13)12(15)9-4-5-10(14)11(6-9)16-3/h4-7,12,14-15H,1-3H3 |
| InChI Key | DCKJTOQHNMSFBW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C12H16O4 |
| Molecular Weight | 224.25 g/mol |
| Exact Mass | 224.10485899 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 0.90 |
| 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 | 96.90% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.65% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.35% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.37% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.18% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 93.05% | 90.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.25% | 99.15% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.10% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.15% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.76% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.28% | 99.17% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 85.14% | 90.24% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 85.06% | 90.20% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.03% | 89.62% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.03% | 90.71% |
| CHEMBL1287628 | Q9Y5S8 | NADPH oxidase 1 | 80.05% | 95.48% |
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.
| Machilus wangchiana |
| Piper auritum |
| PubChem | 75082423 |
| LOTUS | LTS0102790 |
| wikiData | Q105324608 |