[2,5,7,14-Tetraacetyloxy-11-(2-acetyloxypropan-2-yl)-5,9-dimethyl-4-propanoyloxy-16-oxatetracyclo[7.5.2.01,10.03,7]hexadec-12-en-8-yl] benzoate
| Internal ID | d886b08d-522e-4d5a-a28b-fc3d922cdcf9 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Benzoic acid esters |
| IUPAC Name | [2,5,7,14-tetraacetyloxy-11-(2-acetyloxypropan-2-yl)-5,9-dimethyl-4-propanoyloxy-16-oxatetracyclo[7.5.2.01,10.03,7]hexadec-12-en-8-yl] benzoate |
| SMILES (Canonical) | CCC(=O)OC1C2C(C34COC(C3C(C=CC4OC(=O)C)C(C)(C)OC(=O)C)(C(C2(CC1(C)OC(=O)C)OC(=O)C)OC(=O)C5=CC=CC=C5)C)OC(=O)C |
| SMILES (Isomeric) | CCC(=O)OC1C2C(C34COC(C3C(C=CC4OC(=O)C)C(C)(C)OC(=O)C)(C(C2(CC1(C)OC(=O)C)OC(=O)C)OC(=O)C5=CC=CC=C5)C)OC(=O)C |
| InChI | InChI=1S/C40H50O15/c1-11-29(46)51-32-30-33(50-22(3)42)39-20-48-38(10,31(39)27(36(7,8)53-23(4)43)17-18-28(39)49-21(2)41)35(52-34(47)26-15-13-12-14-16-26)40(30,55-25(6)45)19-37(32,9)54-24(5)44/h12-18,27-28,30-33,35H,11,19-20H2,1-10H3 |
| InChI Key | OLFJQGDCCPBPGR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C40H50O15 |
| Molecular Weight | 770.80 g/mol |
| Exact Mass | 770.31497088 g/mol |
| Topological Polar Surface Area (TPSA) | 193.00 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of [2,5,7,14-Tetraacetyloxy-11-(2-acetyloxypropan-2-yl)-5,9-dimethyl-4-propanoyloxy-16-oxatetracyclo[7.5.2.01,10.03,7]hexadec-12-en-8-yl] benzoate](https://plantaedb.com/storage/docs/compounds/2023/11/99d8e450-85a4-11ee-b9ba-53b0acda6aa6.jpg "2D Structure of [2,5,7,14-Tetraacetyloxy-11-(2-acetyloxypropan-2-yl)-5,9-dimethyl-4-propanoyloxy-16-oxatetracyclo[7.5.2.01,10.03,7]hexadec-12-en-8-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.52% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.80% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.30% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.08% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.89% | 90.17% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 92.29% | 97.79% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 90.92% | 94.62% |
| CHEMBL5028 | O14672 | ADAM10 | 87.57% | 97.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.32% | 96.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.21% | 97.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.95% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.35% | 89.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.35% | 89.34% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.70% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.49% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.41% | 99.17% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.65% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.35% | 91.19% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.07% | 97.14% |
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 prolifera |
| PubChem | 73176222 |
| LOTUS | LTS0073527 |
| wikiData | Q105193949 |