[8-(1-Acetyloxypropyl)-5,6-dihydroxy-2-pent-2-en-4-ynyloxocan-3-yl] acetate
| Internal ID | 27f2e3c5-11e1-4700-af89-3fa1179f7579 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Dicarboxylic acids and derivatives |
| IUPAC Name | [8-(1-acetyloxypropyl)-5,6-dihydroxy-2-pent-2-en-4-ynyloxocan-3-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H28O7/c1-5-7-8-9-17-19(25-13(4)21)11-15(23)14(22)10-18(26-17)16(6-2)24-12(3)20/h1,7-8,14-19,22-23H,6,9-11H2,2-4H3 |
| InChI Key | FOQFSEZGXPNQCD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H28O7 |
| Molecular Weight | 368.40 g/mol |
| Exact Mass | 368.18350323 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of [8-(1-Acetyloxypropyl)-5,6-dihydroxy-2-pent-2-en-4-ynyloxocan-3-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/8-1-acetyloxypropyl-56-dihydroxy-2-pent-2-en-4-ynyloxocan-3-yl-acetate.jpg "2D Structure of [8-(1-Acetyloxypropyl)-5,6-dihydroxy-2-pent-2-en-4-ynyloxocan-3-yl] acetate")
| 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 | 96.91% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.61% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.25% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.09% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.42% | 90.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.18% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.93% | 94.73% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.90% | 91.19% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.84% | 96.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.10% | 97.09% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.04% | 89.50% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 84.00% | 98.75% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.45% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.98% | 97.21% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.63% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.02% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.35% | 89.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.43% | 95.50% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 74052375 |
| LOTUS | LTS0128286 |
| wikiData | Q104998891 |