[(4S,6R,10Z,11aR)-6-acetyloxy-3-(acetyloxymethyl)-6,10-dimethyl-2,7-dioxo-5,8,9,11a-tetrahydro-4H-cyclodeca[b]furan-4-yl] 2-methylprop-2-enoate
| Internal ID | 58c6589e-c4e1-477d-b07a-9bc713a65f7c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Germacranolides and derivatives |
| IUPAC Name | [(4S,6R,10Z,11aR)-6-acetyloxy-3-(acetyloxymethyl)-6,10-dimethyl-2,7-dioxo-5,8,9,11a-tetrahydro-4H-cyclodeca[b]furan-4-yl] 2-methylprop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H28O9/c1-12(2)21(27)31-18-10-23(6,32-15(5)25)19(26)8-7-13(3)9-17-20(18)16(22(28)30-17)11-29-14(4)24/h9,17-18H,1,7-8,10-11H2,2-6H3/b13-9-/t17-,18+,23-/m1/s1 |
| InChI Key | AYGIXFJCJFNCRB-IWDSTLHOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H28O9 |
| Molecular Weight | 448.50 g/mol |
| Exact Mass | 448.17333247 g/mol |
| Topological Polar Surface Area (TPSA) | 122.00 Ų |
| XlogP | 1.20 |
| There are no found synonyms. |
![2D Structure of [(4S,6R,10Z,11aR)-6-acetyloxy-3-(acetyloxymethyl)-6,10-dimethyl-2,7-dioxo-5,8,9,11a-tetrahydro-4H-cyclodeca[b]furan-4-yl] 2-methylprop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/02f17820-8536-11ee-91fa-e372c0ec6c15.jpg "2D Structure of [(4S,6R,10Z,11aR)-6-acetyloxy-3-(acetyloxymethyl)-6,10-dimethyl-2,7-dioxo-5,8,9,11a-tetrahydro-4H-cyclodeca[b]furan-4-yl] 2-methylprop-2-enoate")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.65% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.12% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.82% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.67% | 96.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 91.56% | 89.63% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.30% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.20% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.96% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.67% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.22% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.01% | 94.73% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.65% | 95.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.79% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.20% | 99.17% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.07% | 97.79% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.45% | 91.07% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.43% | 96.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.96% | 91.19% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.04% | 89.00% |
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.
| Disynaphia halimifolia |
| PubChem | 162852658 |
| LOTUS | LTS0071332 |
| wikiData | Q104921091 |