[(1R,2R,3R,4S,5S,7R,9R,11S)-1,8,11,16-tetraacetyloxy-7-hydroxy-5,9,12,12-tetramethyl-13-oxo-4-phenoxy-2-tetracyclo[7.6.1.03,7.010,14]hexadec-10(14)-enyl] acetate
| Internal ID | 9795b25e-b29d-47fe-a5e2-67847fe9dce7 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Pentacarboxylic acids and derivatives |
| IUPAC Name | [(1R,2R,3R,4S,5S,7R,9R,11S)-1,8,11,16-tetraacetyloxy-7-hydroxy-5,9,12,12-tetramethyl-13-oxo-4-phenoxy-2-tetracyclo[7.6.1.03,7.010,14]hexadec-10(14)-enyl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H44O13/c1-17-15-35(43)26(27(17)48-23-13-11-10-12-14-23)30(45-19(3)38)36(49-22(6)41)16-24-25(29(44-18(2)37)33(7,8)28(24)42)34(9,31(35)46-20(4)39)32(36)47-21(5)40/h10-14,17,26-27,29-32,43H,15-16H2,1-9H3/t17-,26+,27-,29-,30+,31?,32?,34+,35+,36+/m0/s1 |
| InChI Key | WYKPBBZNSCLSTQ-YYMYQQQLSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C36H44O13 |
| Molecular Weight | 684.70 g/mol |
| Exact Mass | 684.27819145 g/mol |
| Topological Polar Surface Area (TPSA) | 178.00 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of [(1R,2R,3R,4S,5S,7R,9R,11S)-1,8,11,16-tetraacetyloxy-7-hydroxy-5,9,12,12-tetramethyl-13-oxo-4-phenoxy-2-tetracyclo[7.6.1.03,7.010,14]hexadec-10(14)-enyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/e2d008b0-84ef-11ee-b836-593db0caaf04.jpg "2D Structure of [(1R,2R,3R,4S,5S,7R,9R,11S)-1,8,11,16-tetraacetyloxy-7-hydroxy-5,9,12,12-tetramethyl-13-oxo-4-phenoxy-2-tetracyclo[7.6.1.03,7.010,14]hexadec-10(14)-enyl] 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.96% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.70% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.10% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.78% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.46% | 90.17% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.38% | 83.82% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.16% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.56% | 94.45% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.57% | 93.00% |
| CHEMBL5028 | O14672 | ADAM10 | 84.55% | 97.50% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.37% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.78% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.22% | 99.23% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.18% | 95.50% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 81.72% | 94.08% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.56% | 91.19% |
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 paralias |
| PubChem | 162817229 |
| LOTUS | LTS0043818 |
| wikiData | Q105322344 |