2-Methyl-2-phenylbutanoic acid
| Internal ID | 625151eb-9935-45e5-975d-6966294db31f |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Phenylpropanes |
| IUPAC Name | 2-methyl-2-phenylbutanoic acid |
| SMILES (Canonical) | CCC(C)(C1=CC=CC=C1)C(=O)O |
| SMILES (Isomeric) | CCC(C)(C1=CC=CC=C1)C(=O)O |
| InChI | InChI=1S/C11H14O2/c1-3-11(2,10(12)13)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,12,13) |
| InChI Key | IDZLDUPVMGWZLD-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C11H14O2 |
| Molecular Weight | 178.23 g/mol |
| Exact Mass | 178.099379685 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 2.70 |
| 51018-80-5 |
| BUTYRIC ACID, 2-METHYL-2-PHENYL- |
| 828-41-1 |
| 2-methyl-2-phenyl-butyric acid |
| 2-Methyl-2-phenylbutyric acid |
| Benzeneacetic acid, alpha-ethyl-alpha-methyl-, (+/-)- |
| NSC 133936 |
| 2-methyl-2-phenylbutanoicacid |
| NSC133936 |
| methylphenylbutyric acid |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 95.89% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.75% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.74% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.65% | 86.33% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 86.68% | 94.62% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.45% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.19% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.71% | 94.73% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.18% | 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.
| Artemisia sericea |
| PubChem | 13234 |
| LOTUS | LTS0072074 |
| wikiData | Q105111636 |