(2,8,12-Triacetyloxy-7-hydroxy-5,9,12-trimethyl-16-oxo-4-propanoyloxy-18-oxapentacyclo[7.7.2.01,10.03,7.011,14]octadecan-15-yl) benzoate
| Internal ID | e62132c7-5204-442f-aa7b-3974236f6310 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Pentacarboxylic acids and derivatives |
| IUPAC Name | (2,8,12-triacetyloxy-7-hydroxy-5,9,12-trimethyl-16-oxo-4-propanoyloxy-18-oxapentacyclo[7.7.2.01,10.03,7.011,14]octadecan-15-yl) benzoate |
| SMILES (Canonical) | CCC(=O)OC1C(CC2(C1C(C34COC(C3C5C(CC5(C)OC(=O)C)C(C4=O)OC(=O)C6=CC=CC=C6)(C2OC(=O)C)C)OC(=O)C)O)C |
| SMILES (Isomeric) | CCC(=O)OC1C(CC2(C1C(C34COC(C3C5C(CC5(C)OC(=O)C)C(C4=O)OC(=O)C6=CC=CC=C6)(C2OC(=O)C)C)OC(=O)C)O)C |
| InChI | InChI=1S/C36H44O13/c1-8-23(40)47-26-17(2)14-36(43)25(26)30(45-18(3)37)35-16-44-34(7,32(36)46-19(4)38)28(35)24-22(15-33(24,6)49-20(5)39)27(29(35)41)48-31(42)21-12-10-9-11-13-21/h9-13,17,22,24-28,30,32,43H,8,14-16H2,1-7H3 |
| InChI Key | OBGLBABTPRECCH-UHFFFAOYSA-N |
| Popularity | 0 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 | 2.60 |
| There are no found synonyms. |
![2D Structure of (2,8,12-Triacetyloxy-7-hydroxy-5,9,12-trimethyl-16-oxo-4-propanoyloxy-18-oxapentacyclo[7.7.2.01,10.03,7.011,14]octadecan-15-yl) benzoate](https://plantaedb.com/storage/docs/compounds/2023/11/7ac7c2f0-8615-11ee-863a-f502ed5231e4.jpg "2D Structure of (2,8,12-Triacetyloxy-7-hydroxy-5,9,12-trimethyl-16-oxo-4-propanoyloxy-18-oxapentacyclo[7.7.2.01,10.03,7.011,14]octadecan-15-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 | 96.85% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.60% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.06% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.65% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.76% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.58% | 91.49% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.82% | 83.82% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.80% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.96% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.85% | 89.00% |
| CHEMBL5028 | O14672 | ADAM10 | 84.21% | 97.50% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.86% | 89.34% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.30% | 97.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.91% | 97.14% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.42% | 91.07% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.73% | 82.69% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.66% | 93.00% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 80.03% | 81.11% |
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 | 162985450 |
| LOTUS | LTS0025809 |
| wikiData | Q105188993 |