[2-Hydroxy-2-(2-hydroxy-4-methylphenyl)-3-(2-methylbutanoyloxy)propyl] 2-methylbutanoate
| Internal ID | 9b412c56-55e7-40c9-83cf-a9a6c78f7613 |
| Taxonomy | Benzenoids > Phenols > Cresols > Meta cresols |
| IUPAC Name | [2-hydroxy-2-(2-hydroxy-4-methylphenyl)-3-(2-methylbutanoyloxy)propyl] 2-methylbutanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H30O6/c1-6-14(4)18(22)25-11-20(24,12-26-19(23)15(5)7-2)16-9-8-13(3)10-17(16)21/h8-10,14-15,21,24H,6-7,11-12H2,1-5H3 |
| InChI Key | ZJCVZNYWABUXAX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O6 |
| Molecular Weight | 366.40 g/mol |
| Exact Mass | 366.20423867 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of [2-Hydroxy-2-(2-hydroxy-4-methylphenyl)-3-(2-methylbutanoyloxy)propyl] 2-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/2-hydroxy-2-2-hydroxy-4-methylphenyl-3-2-methylbutanoyloxypropyl-2-methylbutanoate.jpg "2D Structure of [2-Hydroxy-2-(2-hydroxy-4-methylphenyl)-3-(2-methylbutanoyloxy)propyl] 2-methylbutanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.42% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.87% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.12% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.80% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.75% | 95.56% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 88.52% | 97.21% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.31% | 96.95% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 86.83% | 100.00% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 85.47% | 93.65% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.36% | 89.62% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.16% | 93.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.02% | 99.15% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 82.72% | 92.68% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.14% | 98.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.87% | 90.71% |
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.
| There are no matching plants. |
| PubChem | 163025604 |
| LOTUS | LTS0052952 |
| wikiData | Q105377794 |