[19,21,22,24-Tetraacetyloxy-25-hydroxy-3,13,14,25-tetramethyl-20-(2-methylpropanoyloxymethyl)-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-18-yl] 1-methyl-6-oxopyridine-3-carboxylate
| Internal ID | eedd155d-7ae9-41d0-868e-e46ef38acafc |
| Taxonomy | Alkaloids and derivatives |
| IUPAC Name | [19,21,22,24-tetraacetyloxy-25-hydroxy-3,13,14,25-tetramethyl-20-(2-methylpropanoyloxymethyl)-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-18-yl] 1-methyl-6-oxopyridine-3-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C45H54N2O19/c1-20(2)38(53)59-19-44-36(62-25(7)50)32(60-23(5)48)30-34(61-24(6)49)45(44)43(10,57)35(33(37(44)63-26(8)51)64-40(55)27-14-15-29(52)47(11)17-27)65-39(54)22(4)21(3)31-28(13-12-16-46-31)41(56)58-18-42(30,9)66-45/h12-17,20-22,30,32-37,57H,18-19H2,1-11H3 |
| InChI Key | UEVGQRBRBJFMRH-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C45H54N2O19 |
| Molecular Weight | 926.90 g/mol |
| Exact Mass | 926.33207750 g/mol |
| Topological Polar Surface Area (TPSA) | 273.00 Ų |
| XlogP | 1.40 |
| There are no found synonyms. |
![2D Structure of [19,21,22,24-Tetraacetyloxy-25-hydroxy-3,13,14,25-tetramethyl-20-(2-methylpropanoyloxymethyl)-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-18-yl] 1-methyl-6-oxopyridine-3-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/2d924140-8609-11ee-b731-0d495d1024d1.jpg "2D Structure of [19,21,22,24-Tetraacetyloxy-25-hydroxy-3,13,14,25-tetramethyl-20-(2-methylpropanoyloxymethyl)-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-18-yl] 1-methyl-6-oxopyridine-3-carboxylate")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.52% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.91% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.84% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.41% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.27% | 85.14% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 96.40% | 95.17% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.20% | 96.77% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 95.97% | 93.10% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.72% | 91.49% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.27% | 82.69% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.69% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.70% | 89.00% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 89.48% | 94.42% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.65% | 95.89% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.36% | 97.79% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.25% | 90.00% |
| CHEMBL3891 | P07384 | Calpain 1 | 87.55% | 93.04% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 87.51% | 81.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.41% | 99.23% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 86.23% | 96.00% |
| CHEMBL202 | P00374 | Dihydrofolate reductase | 85.71% | 89.92% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.49% | 93.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.33% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.37% | 94.75% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.82% | 96.47% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.76% | 96.90% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.44% | 95.56% |
| CHEMBL5028 | O14672 | ADAM10 | 82.06% | 97.50% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 81.88% | 96.67% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.37% | 97.09% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 81.19% | 91.43% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.10% | 89.34% |
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.
| Semialarium mexicanum |
| PubChem | 162932757 |
| LOTUS | LTS0135430 |
| wikiData | Q105271156 |