[19,22,24-Triacetyloxy-20-(acetyloxymethyl)-21,25-dihydroxy-3,13,14,25-tetramethyl-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 | 1e064825-53d4-47a7-9fcd-f3e2adbd0546 |
| Taxonomy | Alkaloids and derivatives |
| IUPAC Name | [19,22,24-triacetyloxy-20-(acetyloxymethyl)-21,25-dihydroxy-3,13,14,25-tetramethyl-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/C41H48N2O18/c1-18-19(2)35(50)60-33-30(59-36(51)24-12-13-26(48)43(9)15-24)34(58-23(6)47)40(17-54-20(3)44)31(49)29(56-21(4)45)27-32(57-22(5)46)41(40,39(33,8)53)61-38(27,7)16-55-37(52)25-11-10-14-42-28(18)25/h10-15,18-19,27,29-34,49,53H,16-17H2,1-9H3 |
| InChI Key | OOZYNQOOJZTXAC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C41H48N2O18 |
| Molecular Weight | 856.80 g/mol |
| Exact Mass | 856.29021269 g/mol |
| Topological Polar Surface Area (TPSA) | 267.00 Ų |
| XlogP | -0.20 |
| There are no found synonyms. |
![2D Structure of [19,22,24-Triacetyloxy-20-(acetyloxymethyl)-21,25-dihydroxy-3,13,14,25-tetramethyl-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/2023/11/4330e610-87e2-11ee-bd79-29a31516db36.jpg "2D Structure of [19,22,24-Triacetyloxy-20-(acetyloxymethyl)-21,25-dihydroxy-3,13,14,25-tetramethyl-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.79% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.73% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.50% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.31% | 91.49% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.28% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.93% | 86.33% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 95.19% | 93.10% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 94.40% | 81.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.17% | 94.00% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 92.88% | 96.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.72% | 96.77% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 90.69% | 94.42% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.65% | 82.69% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.64% | 89.00% |
| CHEMBL3891 | P07384 | Calpain 1 | 87.10% | 93.04% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.02% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.00% | 99.23% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.03% | 93.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.91% | 94.75% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 84.19% | 96.90% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.71% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.39% | 95.56% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 82.18% | 95.17% |
| CHEMBL5028 | O14672 | ADAM10 | 81.75% | 97.50% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.55% | 89.34% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 81.21% | 96.67% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.63% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.21% | 97.79% |
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.
| There are no matching plants. |
| PubChem | 162963938 |
| LOTUS | LTS0079653 |
| wikiData | Q105195891 |