1-[2,4-Dihydroxy-5-(2-methylpropanoyl)phenyl]-2-(2-ethyl-4,8-dihydroxy-1,7-dioxaspiro[2.5]octan-6-yl)-3-methylbutan-1-one
| Internal ID | f6aa2f5b-713c-4d0d-b091-1f7bdb6b3762 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones |
| IUPAC Name | 1-[2,4-dihydroxy-5-(2-methylpropanoyl)phenyl]-2-(2-ethyl-4,8-dihydroxy-1,7-dioxaspiro[2.5]octan-6-yl)-3-methylbutan-1-one |
| SMILES (Canonical) | CCC1C2(O1)C(CC(OC2O)C(C(C)C)C(=O)C3=C(C=C(C(=C3)C(=O)C(C)C)O)O)O |
| SMILES (Isomeric) | CCC1C2(O1)C(CC(OC2O)C(C(C)C)C(=O)C3=C(C=C(C(=C3)C(=O)C(C)C)O)O)O |
| InChI | InChI=1S/C23H32O8/c1-6-18-23(31-18)17(26)9-16(30-22(23)29)19(10(2)3)21(28)13-7-12(20(27)11(4)5)14(24)8-15(13)25/h7-8,10-11,16-19,22,24-26,29H,6,9H2,1-5H3 |
| InChI Key | SLMNEPIXQVLESS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H32O8 |
| Molecular Weight | 436.50 g/mol |
| Exact Mass | 436.20971797 g/mol |
| Topological Polar Surface Area (TPSA) | 137.00 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of 1-[2,4-Dihydroxy-5-(2-methylpropanoyl)phenyl]-2-(2-ethyl-4,8-dihydroxy-1,7-dioxaspiro[2.5]octan-6-yl)-3-methylbutan-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/e9603840-8589-11ee-ac0c-d384272a72ce.jpg "2D Structure of 1-[2,4-Dihydroxy-5-(2-methylpropanoyl)phenyl]-2-(2-ethyl-4,8-dihydroxy-1,7-dioxaspiro[2.5]octan-6-yl)-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 | 98.09% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.10% | 91.11% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 96.35% | 96.61% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.84% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.21% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.94% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.87% | 90.71% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.69% | 97.25% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.17% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.74% | 89.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.01% | 90.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.74% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.54% | 92.62% |
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 | 163061344 |
| LOTUS | LTS0103082 |
| wikiData | Q104197411 |