[4-Acetyloxy-1,3a,9-trihydroxy-2,5,8,8-tetramethyl-13-(2-methylbutanoyloxy)-12-methylidene-11-(2-methylpropanoyloxy)-1,2,3,4,5,9,10,11,13,13a-decahydrocyclopenta[12]annulen-10-yl] 2-methylbutanoate
| Internal ID | e6dd8eb3-3449-4792-ad1c-bc68a3304223 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Jatrophane and cyclojatrophane diterpenoids |
| IUPAC Name | [4-acetyloxy-1,3a,9-trihydroxy-2,5,8,8-tetramethyl-13-(2-methylbutanoyloxy)-12-methylidene-11-(2-methylpropanoyloxy)-1,2,3,4,5,9,10,11,13,13a-decahydrocyclopenta[12]annulen-10-yl] 2-methylbutanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H58O11/c1-13-19(5)33(41)45-27-23(9)28(46-32(40)18(3)4)29(47-34(42)20(6)14-2)30(39)35(11,12)16-15-21(7)31(44-24(10)37)36(43)17-22(8)26(38)25(27)36/h15-16,18-22,25-31,38-39,43H,9,13-14,17H2,1-8,10-12H3 |
| InChI Key | DVKYXWXTRXIQON-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H58O11 |
| Molecular Weight | 666.80 g/mol |
| Exact Mass | 666.39791266 g/mol |
| Topological Polar Surface Area (TPSA) | 166.00 Ų |
| XlogP | 5.40 |
| There are no found synonyms. |
![2D Structure of [4-Acetyloxy-1,3a,9-trihydroxy-2,5,8,8-tetramethyl-13-(2-methylbutanoyloxy)-12-methylidene-11-(2-methylpropanoyloxy)-1,2,3,4,5,9,10,11,13,13a-decahydrocyclopenta[12]annulen-10-yl] 2-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/fd9f2fe0-8538-11ee-a938-f5d951fac99e.jpg "2D Structure of [4-Acetyloxy-1,3a,9-trihydroxy-2,5,8,8-tetramethyl-13-(2-methylbutanoyloxy)-12-methylidene-11-(2-methylpropanoyloxy)-1,2,3,4,5,9,10,11,13,13a-decahydrocyclopenta[12]annulen-10-yl] 2-methylbutanoate")
| 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 | 99.45% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.82% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.45% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.91% | 98.95% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 92.46% | 96.61% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.34% | 94.45% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.55% | 96.47% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.83% | 96.77% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 86.50% | 94.80% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.80% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.29% | 90.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.25% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.93% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.18% | 89.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 83.09% | 98.03% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.99% | 98.75% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.53% | 91.19% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 82.38% | 82.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.57% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.55% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.20% | 92.62% |
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.
| Euphorbia segetalis |
| Euphorbia terracina |
| PubChem | 162958830 |
| LOTUS | LTS0188397 |
| wikiData | Q104990195 |