N-[3-[(2R)-2-[2-(2-hydroxy-6-methylphenyl)-2-oxoethyl]pyrrolidin-1-yl]propyl]hexanamide
| Internal ID | 36d5d662-db2b-4bdc-b626-bdc942949586 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones |
| IUPAC Name | N-[3-[(2R)-2-[2-(2-hydroxy-6-methylphenyl)-2-oxoethyl]pyrrolidin-1-yl]propyl]hexanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H34N2O3/c1-3-4-5-12-21(27)23-13-8-15-24-14-7-10-18(24)16-20(26)22-17(2)9-6-11-19(22)25/h6,9,11,18,25H,3-5,7-8,10,12-16H2,1-2H3,(H,23,27)/t18-/m1/s1 |
| InChI Key | LZFMYZNYVOKFEE-GOSISDBHSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H34N2O3 |
| Molecular Weight | 374.50 g/mol |
| Exact Mass | 374.25694295 g/mol |
| Topological Polar Surface Area (TPSA) | 69.60 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of N-[3-[(2R)-2-[2-(2-hydroxy-6-methylphenyl)-2-oxoethyl]pyrrolidin-1-yl]propyl]hexanamide](https://plantaedb.com/storage/docs/compounds/2023/11/n-3-2r-2-2-2-hydroxy-6-methylphenyl-2-oxoethylpyrrolidin-1-ylpropylhexanamide.jpg "2D Structure of N-[3-[(2R)-2-[2-(2-hydroxy-6-methylphenyl)-2-oxoethyl]pyrrolidin-1-yl]propyl]hexanamide")
| 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 | 99.67% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.87% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 94.39% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.84% | 95.56% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 93.43% | 83.14% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.80% | 93.56% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 91.88% | 82.38% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 90.80% | 95.62% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.16% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.92% | 99.17% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 88.38% | 89.63% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 88.35% | 95.34% |
| CHEMBL240 | Q12809 | HERG | 87.40% | 89.76% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 86.72% | 96.25% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 86.71% | 91.24% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 86.58% | 90.24% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.27% | 93.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.23% | 97.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.40% | 97.79% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.00% | 100.00% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.61% | 97.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.57% | 90.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.28% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.26% | 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.
| Peripentadenia mearsii |
| PubChem | 162963344 |
| LOTUS | LTS0132304 |
| wikiData | Q105159846 |