(2,4,7,8,12-Pentaacetyloxy-5,9,12-trimethyl-16-oxo-18-oxapentacyclo[7.7.2.01,10.03,7.011,14]octadecan-15-yl) 2-methylbutanoate
| Internal ID | 5e5aaff3-d114-47b8-b2b5-644c224c8897 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Hexacarboxylic acids and derivatives |
| IUPAC Name | (2,4,7,8,12-pentaacetyloxy-5,9,12-trimethyl-16-oxo-18-oxapentacyclo[7.7.2.01,10.03,7.011,14]octadecan-15-yl) 2-methylbutanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H48O14/c1-11-15(2)30(42)47-26-22-13-32(9,48-20(7)39)23(22)27-33(10)31(46-19(6)38)35(49-21(8)40)12-16(3)25(44-17(4)36)24(35)29(45-18(5)37)34(27,14-43-33)28(26)41/h15-16,22-27,29,31H,11-14H2,1-10H3 |
| InChI Key | JKCKTBHVQIYZDF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H48O14 |
| Molecular Weight | 692.70 g/mol |
| Exact Mass | 692.30440620 g/mol |
| Topological Polar Surface Area (TPSA) | 184.00 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of (2,4,7,8,12-Pentaacetyloxy-5,9,12-trimethyl-16-oxo-18-oxapentacyclo[7.7.2.01,10.03,7.011,14]octadecan-15-yl) 2-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/8253c1a0-8611-11ee-ae9c-778b1d7bafd3.jpg "2D Structure of (2,4,7,8,12-Pentaacetyloxy-5,9,12-trimethyl-16-oxo-18-oxapentacyclo[7.7.2.01,10.03,7.011,14]octadecan-15-yl) 2-methylbutanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.32% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.59% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.12% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.31% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.16% | 96.77% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 94.55% | 89.34% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.64% | 97.25% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 89.46% | 96.47% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.83% | 97.79% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 87.12% | 89.50% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 86.09% | 82.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.57% | 86.33% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 84.73% | 98.03% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.69% | 97.14% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 84.42% | 95.71% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.34% | 94.33% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.26% | 82.69% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.98% | 91.19% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.29% | 89.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.91% | 92.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.46% | 100.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.12% | 93.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.11% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.01% | 95.56% |
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 teheranica |
| PubChem | 73804952 |
| LOTUS | LTS0188534 |
| wikiData | Q105130138 |