[(1R,3R,4S,6S,8S,9S,10S,12R,13S,14R,15R)-1,8,12,14,15-pentaacetyloxy-3,7,7,15-tetramethyl-11-methylidene-10-(2-methylpropanoyloxy)-2-oxo-5-oxatricyclo[11.3.0.04,6]hexadecan-9-yl] 2-methylpropanoate
| Internal ID | 3d4c7cec-574c-435f-a6dd-9e12adcaae27 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Alpha-acyloxy carbonyl compounds > Alpha-acyloxy ketones |
| IUPAC Name | [(1R,3R,4S,6S,8S,9S,10S,12R,13S,14R,15R)-1,8,12,14,15-pentaacetyloxy-3,7,7,15-tetramethyl-11-methylidene-10-(2-methylpropanoyloxy)-2-oxo-5-oxatricyclo[11.3.0.04,6]hexadecan-9-yl] 2-methylpropanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C38H54O16/c1-16(2)34(45)51-27-18(5)26(47-20(7)39)25-31(48-21(8)40)37(14,53-23(10)42)15-38(25,54-24(11)43)30(44)19(6)28-32(50-28)36(12,13)33(49-22(9)41)29(27)52-35(46)17(3)4/h16-17,19,25-29,31-33H,5,15H2,1-4,6-14H3/t19-,25+,26+,27+,28+,29-,31-,32-,33-,37-,38-/m1/s1 |
| InChI Key | PPJDMVYGOXSPEM-GITIHLMHSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C38H54O16 |
| Molecular Weight | 766.80 g/mol |
| Exact Mass | 766.34118563 g/mol |
| Topological Polar Surface Area (TPSA) | 214.00 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of [(1R,3R,4S,6S,8S,9S,10S,12R,13S,14R,15R)-1,8,12,14,15-pentaacetyloxy-3,7,7,15-tetramethyl-11-methylidene-10-(2-methylpropanoyloxy)-2-oxo-5-oxatricyclo[11.3.0.04,6]hexadecan-9-yl] 2-methylpropanoate](https://plantaedb.com/storage/docs/compounds/2023/11/9b343230-86c9-11ee-a4a8-fb232b35f381.jpg "2D Structure of [(1R,3R,4S,6S,8S,9S,10S,12R,13S,14R,15R)-1,8,12,14,15-pentaacetyloxy-3,7,7,15-tetramethyl-11-methylidene-10-(2-methylpropanoyloxy)-2-oxo-5-oxatricyclo[11.3.0.04,6]hexadecan-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 | 98.31% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.91% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.79% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.33% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.33% | 98.95% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 89.76% | 95.71% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.10% | 96.77% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.99% | 96.47% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.98% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.60% | 91.19% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.82% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.55% | 99.23% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.71% | 98.75% |
| CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 82.78% | 92.78% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.59% | 89.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.85% | 92.62% |
| CHEMBL5028 | O14672 | ADAM10 | 80.82% | 97.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.73% | 97.09% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 80.36% | 82.50% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.36% | 92.50% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.25% | 82.69% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 80.08% | 89.05% |
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 salicifolia |
| PubChem | 163051679 |
| LOTUS | LTS0079888 |
| wikiData | Q105212927 |