1-[(1S,2S,5S)-2-(furan-3-yl)-2-hydroxy-5-methylcyclopentyl]-3-methylbutan-1-one
| Internal ID | 28244d84-f92c-4740-a3be-08eed07b3201 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Secondary alcohols > Cyclopentanols |
| IUPAC Name | 1-[(1S,2S,5S)-2-(furan-3-yl)-2-hydroxy-5-methylcyclopentyl]-3-methylbutan-1-one |
| SMILES (Canonical) | CC1CCC(C1C(=O)CC(C)C)(C2=COC=C2)O |
| SMILES (Isomeric) | C[C@H]1CC[C@]([C@H]1C(=O)CC(C)C)(C2=COC=C2)O |
| InChI | InChI=1S/C15H22O3/c1-10(2)8-13(16)14-11(3)4-6-15(14,17)12-5-7-18-9-12/h5,7,9-11,14,17H,4,6,8H2,1-3H3/t11-,14+,15+/m0/s1 |
| InChI Key | PLJLLELLRWAYEB-NILFDRSVSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H22O3 |
| Molecular Weight | 250.33 g/mol |
| Exact Mass | 250.15689456 g/mol |
| Topological Polar Surface Area (TPSA) | 50.40 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of 1-[(1S,2S,5S)-2-(furan-3-yl)-2-hydroxy-5-methylcyclopentyl]-3-methylbutan-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/1-1s2s5s-2-furan-3-yl-2-hydroxy-5-methylcyclopentyl-3-methylbutan-1-one.jpg "2D Structure of 1-[(1S,2S,5S)-2-(furan-3-yl)-2-hydroxy-5-methylcyclopentyl]-3-methylbutan-1-one")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.05% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.45% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.24% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.21% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.01% | 94.45% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 88.92% | 94.80% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.95% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.29% | 90.17% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.70% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.10% | 89.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.75% | 93.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.06% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.49% | 100.00% |
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.
| Myoporum betcheanum |
| PubChem | 14486229 |
| LOTUS | LTS0198165 |
| wikiData | Q105210965 |