(5R)-2-(furan-3-carbonyl)-5-methyl-3-(2-methylpropyl)cyclopent-2-en-1-one
| Internal ID | 539777f4-3152-4a82-bc26-4d74ecfe4230 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Aryl ketones |
| IUPAC Name | (5R)-2-(furan-3-carbonyl)-5-methyl-3-(2-methylpropyl)cyclopent-2-en-1-one |
| SMILES (Canonical) | CC1CC(=C(C1=O)C(=O)C2=COC=C2)CC(C)C |
| SMILES (Isomeric) | C[C@@H]1CC(=C(C1=O)C(=O)C2=COC=C2)CC(C)C |
| InChI | InChI=1S/C15H18O3/c1-9(2)6-12-7-10(3)14(16)13(12)15(17)11-4-5-18-8-11/h4-5,8-10H,6-7H2,1-3H3/t10-/m1/s1 |
| InChI Key | YUPNXZJXDREVDT-SNVBAGLBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H18O3 |
| Molecular Weight | 246.30 g/mol |
| Exact Mass | 246.125594432 g/mol |
| Topological Polar Surface Area (TPSA) | 47.30 Ų |
| XlogP | 2.90 |
| 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 | 94.62% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.10% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.38% | 90.71% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.84% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.72% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.77% | 95.56% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 85.41% | 85.11% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 84.12% | 83.10% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.11% | 90.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.66% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.61% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.96% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.70% | 94.73% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.33% | 93.56% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.90% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.45% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.20% | 95.89% |
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.
| Distimake kentrocaulos |
| PubChem | 163018803 |
| LOTUS | LTS0093316 |
| wikiData | Q105364334 |