[4,15-Diacetyloxy-1-(acetyloxymethyl)-7-hydroxy-5,9,11,11-tetramethyl-8-oxo-10-oxatetracyclo[7.6.1.03,7.012,16]hexadec-13-en-2-yl] benzoate
| Internal ID | 720be525-92ee-4dbb-843b-e5c8b8252dc2 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tetracarboxylic acids and derivatives |
| IUPAC Name | [4,15-diacetyloxy-1-(acetyloxymethyl)-7-hydroxy-5,9,11,11-tetramethyl-8-oxo-10-oxatetracyclo[7.6.1.03,7.012,16]hexadec-13-en-2-yl] benzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C33H40O11/c1-17-15-33(39)24(25(17)42-20(4)36)27(43-28(37)21-11-9-8-10-12-21)32(16-40-18(2)34)23(41-19(3)35)14-13-22-26(32)31(7,29(33)38)44-30(22,5)6/h8-14,17,22-27,39H,15-16H2,1-7H3 |
| InChI Key | PGEIXGCPAXFUOK-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C33H40O11 |
| Molecular Weight | 612.70 g/mol |
| Exact Mass | 612.25706209 g/mol |
| Topological Polar Surface Area (TPSA) | 152.00 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of [4,15-Diacetyloxy-1-(acetyloxymethyl)-7-hydroxy-5,9,11,11-tetramethyl-8-oxo-10-oxatetracyclo[7.6.1.03,7.012,16]hexadec-13-en-2-yl] benzoate](https://plantaedb.com/storage/docs/compounds/2023/11/30a96a50-85e7-11ee-9406-2bc8f111ee61.jpg "2D Structure of [4,15-Diacetyloxy-1-(acetyloxymethyl)-7-hydroxy-5,9,11,11-tetramethyl-8-oxo-10-oxatetracyclo[7.6.1.03,7.012,16]hexadec-13-en-2-yl] benzoate")
| 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 |
|---|---|---|---|---|
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 98.31% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.26% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.60% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.62% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.92% | 85.14% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.69% | 82.69% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.91% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.43% | 99.23% |
| CHEMBL2782 | P35610 | Acyl coenzyme A:cholesterol acyltransferase 1 | 89.71% | 91.65% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.95% | 97.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.54% | 95.56% |
| CHEMBL5028 | O14672 | ADAM10 | 88.39% | 97.50% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.46% | 83.82% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.65% | 91.49% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.97% | 93.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.23% | 91.07% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.59% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.56% | 95.89% |
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 cheiradenia |
| PubChem | 85202338 |
| LOTUS | LTS0025820 |
| wikiData | Q105208345 |