[18,21,22,24-Tetraacetyloxy-20-(acetyloxymethyl)-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-19-yl] benzoate
| Internal ID | 37212b51-389a-4d81-854d-104b9eece49e |
| Taxonomy | Alkaloids and derivatives |
| IUPAC Name | [18,21,22,24-tetraacetyloxy-20-(acetyloxymethyl)-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-19-yl] benzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C43H49NO17/c1-20-21(2)38(50)59-32-22(3)43-35(57-26(7)48)30(41(9,61-43)18-54-40(52)29-16-13-17-44-31(20)29)33(55-24(5)46)36(58-27(8)49)42(43,19-53-23(4)45)37(34(32)56-25(6)47)60-39(51)28-14-11-10-12-15-28/h10-17,20-22,30,32-37H,18-19H2,1-9H3 |
| InChI Key | ANYZXYOBJYZEGI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C43H49NO17 |
| Molecular Weight | 851.80 g/mol |
| Exact Mass | 851.30004909 g/mol |
| Topological Polar Surface Area (TPSA) | 233.00 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of [18,21,22,24-Tetraacetyloxy-20-(acetyloxymethyl)-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-19-yl] benzoate](https://plantaedb.com/storage/docs/compounds/2023/11/942a6d10-8607-11ee-b49f-7b760aa8a65b.jpg "2D Structure of [18,21,22,24-Tetraacetyloxy-20-(acetyloxymethyl)-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-19-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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.55% | 91.49% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.66% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.96% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.43% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.57% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 94.88% | 99.23% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 92.93% | 81.11% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.80% | 91.11% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.49% | 82.69% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.12% | 97.25% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 87.58% | 94.42% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.31% | 95.56% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 87.23% | 93.10% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.35% | 94.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.03% | 91.07% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.97% | 99.17% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 85.89% | 83.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.75% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.55% | 90.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.39% | 89.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 84.11% | 94.62% |
| CHEMBL5028 | O14672 | ADAM10 | 82.29% | 97.50% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 82.01% | 95.71% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.86% | 95.50% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.02% | 96.67% |
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 | 85105995 |
| LOTUS | LTS0201651 |
| wikiData | Q104915500 |