[8-[Acetyloxy(furan-3-yl)methyl]-5-ethyl-1,9,10,11,20-pentahydroxy-8,18-dimethyl-15-oxo-4,14,22-trioxaheptacyclo[16.2.1.12,5.03,7.03,11.012,17.012,20]docosan-21-yl] acetate
| Internal ID | bc32d115-6e1a-48f1-a08f-efe5750585f9 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Eicosanoids > Prostaglandins and related compounds |
| IUPAC Name | [8-[acetyloxy(furan-3-yl)methyl]-5-ethyl-1,9,10,11,20-pentahydroxy-8,18-dimethyl-15-oxo-4,14,22-trioxaheptacyclo[16.2.1.12,5.03,7.03,11.012,17.012,20]docosan-21-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H40O14/c1-6-27-10-18-26(5,22(43-14(2)33)16-7-8-41-11-16)20(36)21(37)32(40)28-13-42-19(35)9-17(28)25(4)12-29(28,38)30(39,23(25)44-15(3)34)24(45-27)31(18,32)46-27/h7-8,11,17-18,20-24,36-40H,6,9-10,12-13H2,1-5H3 |
| InChI Key | JEIJTJHVAJQJIO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H40O14 |
| Molecular Weight | 648.60 g/mol |
| Exact Mass | 648.24180595 g/mol |
| Topological Polar Surface Area (TPSA) | 212.00 Ų |
| XlogP | -1.50 |
| There are no found synonyms. |
![2D Structure of [8-[Acetyloxy(furan-3-yl)methyl]-5-ethyl-1,9,10,11,20-pentahydroxy-8,18-dimethyl-15-oxo-4,14,22-trioxaheptacyclo[16.2.1.12,5.03,7.03,11.012,17.012,20]docosan-21-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/5505ebb0-8817-11ee-814c-5b5113bafdd9.jpg "2D Structure of [8-[Acetyloxy(furan-3-yl)methyl]-5-ethyl-1,9,10,11,20-pentahydroxy-8,18-dimethyl-15-oxo-4,14,22-trioxaheptacyclo[16.2.1.12,5.03,7.03,11.012,17.012,20]docosan-21-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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 99.26% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.76% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.38% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.36% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.32% | 97.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 93.87% | 97.79% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.98% | 89.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.29% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.75% | 96.77% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.62% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.98% | 95.56% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 85.67% | 95.71% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 85.07% | 97.28% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.61% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.93% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.76% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.57% | 90.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.06% | 93.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.90% | 94.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.42% | 100.00% |
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.
| Chukrasia tabularis |
| PubChem | 75215096 |
| LOTUS | LTS0235501 |
| wikiData | Q105126098 |