1-(6-Ethyl-4,6-dihydroxyoxan-3-yl)-3-hydroxy-2-(hydroxymethyl)-3-(2-methyl-3-pent-3-en-2-yloxiran-2-yl)propan-1-one
| Internal ID | b5624f93-6ed2-4560-be24-864e7c7fab60 |
| Taxonomy | Organoheterocyclic compounds > Oxanes |
| IUPAC Name | 1-(6-ethyl-4,6-dihydroxyoxan-3-yl)-3-hydroxy-2-(hydroxymethyl)-3-(2-methyl-3-pent-3-en-2-yloxiran-2-yl)propan-1-one |
| SMILES (Canonical) | CCC1(CC(C(CO1)C(=O)C(CO)C(C2(C(O2)C(C)C=CC)C)O)O)O |
| SMILES (Isomeric) | CCC1(CC(C(CO1)C(=O)C(CO)C(C2(C(O2)C(C)C=CC)C)O)O)O |
| InChI | InChI=1S/C19H32O7/c1-5-7-11(3)17-18(4,26-17)16(23)12(9-20)15(22)13-10-25-19(24,6-2)8-14(13)21/h5,7,11-14,16-17,20-21,23-24H,6,8-10H2,1-4H3 |
| InChI Key | VJPJOSSWTOMULO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H32O7 |
| Molecular Weight | 372.50 g/mol |
| Exact Mass | 372.21480336 g/mol |
| Topological Polar Surface Area (TPSA) | 120.00 Ų |
| XlogP | 0.30 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.37% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.46% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.28% | 97.25% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 95.25% | 96.61% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.71% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.10% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.09% | 98.95% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 89.54% | 95.71% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 89.11% | 96.47% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.06% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.34% | 97.09% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 86.84% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.31% | 89.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.22% | 93.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.68% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.03% | 95.89% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.85% | 95.93% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.73% | 91.24% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.63% | 89.50% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.06% | 97.28% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.95% | 96.77% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.47% | 97.14% |
| CHEMBL4015 | P41597 | C-C chemokine receptor type 2 | 81.15% | 98.57% |
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.
| There are no matching plants. |
| PubChem | 73836040 |
| LOTUS | LTS0183353 |
| wikiData | Q105287430 |