3-(1-Hydroxy-3-oxo-4-phenylbutyl)-5-(2-methylpropyl)pyrrolidin-2-one
| Internal ID | 201c9336-5648-459c-8d56-f8a865455bf4 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives |
| IUPAC Name | 3-(1-hydroxy-3-oxo-4-phenylbutyl)-5-(2-methylpropyl)pyrrolidin-2-one |
| SMILES (Canonical) | CC(C)CC1CC(C(=O)N1)C(CC(=O)CC2=CC=CC=C2)O |
| SMILES (Isomeric) | CC(C)CC1CC(C(=O)N1)C(CC(=O)CC2=CC=CC=C2)O |
| InChI | InChI=1S/C18H25NO3/c1-12(2)8-14-10-16(18(22)19-14)17(21)11-15(20)9-13-6-4-3-5-7-13/h3-7,12,14,16-17,21H,8-11H2,1-2H3,(H,19,22) |
| InChI Key | KACACYYTPVUKSL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H25NO3 |
| Molecular Weight | 303.40 g/mol |
| Exact Mass | 303.18344366 g/mol |
| Topological Polar Surface Area (TPSA) | 66.40 Ų |
| XlogP | 2.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.82% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.28% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.37% | 85.14% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.36% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.83% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.84% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.14% | 83.82% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.08% | 90.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.90% | 90.71% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.85% | 93.00% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 82.66% | 97.64% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.70% | 97.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.29% | 93.03% |
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.
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| There are no matching plants. |
| PubChem | 74342750 |
| LOTUS | LTS0126431 |
| wikiData | Q105137769 |