5-Hexyl-2-hydroxy-2-pentylfuran-3-one
| Internal ID | 2900b936-d00e-41e1-b9be-d550b7f1ac2b |
| Taxonomy | Organoheterocyclic compounds > Dihydrofurans > Furanones |
| IUPAC Name | 5-hexyl-2-hydroxy-2-pentylfuran-3-one |
| SMILES (Canonical) | CCCCCCC1=CC(=O)C(O1)(CCCCC)O |
| SMILES (Isomeric) | CCCCCCC1=CC(=O)C(O1)(CCCCC)O |
| InChI | InChI=1S/C15H26O3/c1-3-5-7-8-10-13-12-14(16)15(17,18-13)11-9-6-4-2/h12,17H,3-11H2,1-2H3 |
| InChI Key | YRBQCHAIEXCUGF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H26O3 |
| Molecular Weight | 254.36 g/mol |
| Exact Mass | 254.18819469 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 4.40 |
| 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 | 97.81% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.77% | 91.11% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 93.13% | 89.63% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.55% | 86.33% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 89.35% | 92.08% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 89.03% | 98.03% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.79% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.74% | 96.09% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 87.32% | 85.94% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 87.29% | 92.86% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.61% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.11% | 94.73% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.65% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.54% | 99.17% |
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 | 139588634 |
| LOTUS | LTS0067322 |
| wikiData | Q104201992 |