[10-Acetyloxy-8-[acetyloxy(furan-3-yl)methyl]-5-ethyl-1,11,20,21-tetrahydroxy-8,18-dimethyl-15-oxo-4,14,22-trioxaheptacyclo[16.2.1.12,5.03,7.03,11.012,17.012,20]docosan-9-yl] acetate
| Internal ID | e4eb1de7-6080-4b44-a1fa-606aa1a25e20 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Eicosanoids > Prostaglandins and related compounds |
| IUPAC Name | [10-acetyloxy-8-[acetyloxy(furan-3-yl)methyl]-5-ethyl-1,11,20,21-tetrahydroxy-8,18-dimethyl-15-oxo-4,14,22-trioxaheptacyclo[16.2.1.12,5.03,7.03,11.012,17.012,20]docosan-9-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H42O15/c1-7-29-11-20-28(6,22(45-15(2)35)18-8-9-43-12-18)23(46-16(3)36)24(47-17(4)37)34(42)30-14-44-21(38)10-19(30)27(5)13-31(30,40)32(41,25(27)39)26(48-29)33(20,34)49-29/h8-9,12,19-20,22-26,39-42H,7,10-11,13-14H2,1-6H3 |
| InChI Key | KZANKKUWJNTDGT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H42O15 |
| Molecular Weight | 690.70 g/mol |
| Exact Mass | 690.25237063 g/mol |
| Topological Polar Surface Area (TPSA) | 218.00 Ų |
| XlogP | -1.00 |
| There are no found synonyms. |
![2D Structure of [10-Acetyloxy-8-[acetyloxy(furan-3-yl)methyl]-5-ethyl-1,11,20,21-tetrahydroxy-8,18-dimethyl-15-oxo-4,14,22-trioxaheptacyclo[16.2.1.12,5.03,7.03,11.012,17.012,20]docosan-9-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/faa97d80-8577-11ee-90b5-353b34f2ce05.jpg "2D Structure of [10-Acetyloxy-8-[acetyloxy(furan-3-yl)methyl]-5-ethyl-1,11,20,21-tetrahydroxy-8,18-dimethyl-15-oxo-4,14,22-trioxaheptacyclo[16.2.1.12,5.03,7.03,11.012,17.012,20]docosan-9-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 | 99.43% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.26% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.38% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.38% | 96.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 95.45% | 97.79% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.95% | 97.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.61% | 96.77% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 92.39% | 89.34% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.62% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.91% | 89.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.80% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.98% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.22% | 97.25% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.89% | 91.19% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 85.03% | 95.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.56% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.04% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.66% | 94.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.75% | 93.56% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.35% | 100.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.14% | 93.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.92% | 100.00% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 80.79% | 80.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.56% | 96.47% |
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 | 75215006 |
| LOTUS | LTS0063421 |
| wikiData | Q105148029 |