Alseodafuranone
| Internal ID | 031bb276-88e0-4147-84c3-e5c04436e67c |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Ethers > Acetals > Ketals |
| IUPAC Name | (2S,5R)-2-methoxy-2-methyl-5-undecyloxolan-3-one |
| SMILES (Canonical) | CCCCCCCCCCCC1CC(=O)C(O1)(C)OC |
| SMILES (Isomeric) | CCCCCCCCCCC[C@@H]1CC(=O)[C@@](O1)(C)OC |
| InChI | InChI=1S/C17H32O3/c1-4-5-6-7-8-9-10-11-12-13-15-14-16(18)17(2,19-3)20-15/h15H,4-14H2,1-3H3/t15-,17+/m1/s1 |
| InChI Key | VTDDQAZZUPRKJW-WBVHZDCISA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C17H32O3 |
| Molecular Weight | 284.40 g/mol |
| Exact Mass | 284.23514488 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 5.50 |
| (2S,5R)-2-methoxy-2-methyl-5-undecyloxolan-3-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 |
|---|---|---|---|---|
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 95.60% | 89.63% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.26% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.69% | 98.95% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 93.41% | 97.79% |
| CHEMBL240 | Q12809 | HERG | 91.27% | 89.76% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.88% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.76% | 99.17% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 88.33% | 90.24% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 87.37% | 98.03% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.23% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.82% | 99.23% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.64% | 92.86% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.01% | 92.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.44% | 97.09% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 81.62% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.61% | 94.73% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.99% | 93.56% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 80.73% | 97.29% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 80.51% | 92.08% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.09% | 92.88% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 11119635 |
| LOTUS | LTS0088736 |
| wikiData | Q105292667 |