(2S)-N-[2-(4-hydroxyphenyl)ethyl]-2-methylbutanamide
| Internal ID | 80626605-809a-4050-ae23-6897b73c2654 |
| Taxonomy | Benzenoids > Phenols > 1-hydroxy-2-unsubstituted benzenoids |
| IUPAC Name | (2S)-N-[2-(4-hydroxyphenyl)ethyl]-2-methylbutanamide |
| SMILES (Canonical) | CCC(C)C(=O)NCCC1=CC=C(C=C1)O |
| SMILES (Isomeric) | CC[C@H](C)C(=O)NCCC1=CC=C(C=C1)O |
| InChI | InChI=1S/C13H19NO2/c1-3-10(2)13(16)14-9-8-11-4-6-12(15)7-5-11/h4-7,10,15H,3,8-9H2,1-2H3,(H,14,16)/t10-/m0/s1 |
| InChI Key | GHWNXVWVLOGWPT-JTQLQIEISA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C13H19NO2 |
| Molecular Weight | 221.29 g/mol |
| Exact Mass | 221.141578849 g/mol |
| Topological Polar Surface Area (TPSA) | 49.30 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of (2S)-N-[2-(4-hydroxyphenyl)ethyl]-2-methylbutanamide](https://plantaedb.com/storage/docs/compounds/2023/11/2s-n-2-4-hydroxyphenylethyl-2-methylbutanamide.jpg "2D Structure of (2S)-N-[2-(4-hydroxyphenyl)ethyl]-2-methylbutanamide")
| 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 | 98.92% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.30% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.30% | 94.45% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 89.56% | 89.33% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 88.90% | 100.00% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 87.06% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.76% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.59% | 90.71% |
| CHEMBL268 | P43235 | Cathepsin K | 86.58% | 96.85% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.05% | 91.11% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 85.75% | 96.67% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 85.18% | 92.29% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.05% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.03% | 97.21% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 83.93% | 97.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.80% | 98.75% |
| CHEMBL236 | P41143 | Delta opioid receptor | 83.49% | 99.35% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 83.14% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.94% | 90.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.93% | 94.73% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.16% | 97.25% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.38% | 95.89% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 92449965 |
| LOTUS | LTS0235070 |
| wikiData | Q105008784 |