[(1S,2S,3S,4R,8R,9R,10S,11R)-3-hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatetracyclo[9.2.1.02,10.04,8]tetradecan-9-yl] 2-methylpropanoate
| Internal ID | d58304cf-c934-41af-b83b-34f16eb4adf7 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Eudesmanolides, secoeudesmanolides, and derivatives |
| IUPAC Name | [(1S,2S,3S,4R,8R,9R,10S,11R)-3-hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatetracyclo[9.2.1.02,10.04,8]tetradecan-9-yl] 2-methylpropanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H26O6/c1-8(2)16(21)23-12-11-9(3)17(22)24-13(11)15(20)19(5)10-6-7-18(4,25-10)14(12)19/h8,10-15,20H,3,6-7H2,1-2,4-5H3/t10-,11+,12+,13+,14-,15+,18+,19-/m0/s1 |
| InChI Key | OOFKNDDBPOTQNU-WBDCHOPKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H26O6 |
| Molecular Weight | 350.40 g/mol |
| Exact Mass | 350.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 82.10 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of [(1S,2S,3S,4R,8R,9R,10S,11R)-3-hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatetracyclo[9.2.1.02,10.04,8]tetradecan-9-yl] 2-methylpropanoate](https://plantaedb.com/storage/docs/compounds/2023/11/7ba01190-85d5-11ee-858e-ddf9a2ce6a8f.jpg "2D Structure of [(1S,2S,3S,4R,8R,9R,10S,11R)-3-hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatetracyclo[9.2.1.02,10.04,8]tetradecan-9-yl] 2-methylpropanoate")
| 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 | 95.53% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.19% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.98% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.51% | 97.25% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 90.37% | 96.47% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.68% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.67% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.50% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.89% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.64% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.73% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.39% | 92.62% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 85.39% | 97.79% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.92% | 96.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.31% | 91.07% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.24% | 91.19% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.72% | 86.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.60% | 97.14% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 80.51% | 85.30% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.14% | 98.75% |
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.
| There are no matching plants. |
| PubChem | 101695944 |
| LOTUS | LTS0137010 |
| wikiData | Q105195343 |