[(1S,3R,15S,18R,19S,20R,21R,22S,23S,24R,25S,26R)-20,22,23,25-tetraacetyloxy-21-(acetyloxymethyl)-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-19-yl] benzoate
| Internal ID | 81027718-e858-4948-8000-aae3153105a2 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | [(1S,3R,15S,18R,19S,20R,21R,22S,23S,24R,25S,26R)-20,22,23,25-tetraacetyloxy-21-(acetyloxymethyl)-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-19-yl] benzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C43H49NO17/c1-21-16-17-30-29(15-12-18-44-30)40(52)54-19-41(8)31-33(55-24(4)46)36(57-26(6)48)42(20-53-23(3)45)37(58-27(7)49)34(60-39(51)28-13-10-9-11-14-28)32(59-38(21)50)22(2)43(42,61-41)35(31)56-25(5)47/h9-15,18,21-22,31-37H,16-17,19-20H2,1-8H3/t21-,22+,31+,32+,33-,34-,35-,36+,37-,41-,42+,43+/m0/s1 |
| InChI Key | XHJIRIRXDDQJLC-QCPJQDIZSA-N |
| Popularity | 2 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 [(1S,3R,15S,18R,19S,20R,21R,22S,23S,24R,25S,26R)-20,22,23,25-tetraacetyloxy-21-(acetyloxymethyl)-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-19-yl] benzoate](https://plantaedb.com/storage/docs/compounds/2023/11/df1cb110-85e8-11ee-860c-19bd4c21e7c2.jpg "2D Structure of [(1S,3R,15S,18R,19S,20R,21R,22S,23S,24R,25S,26R)-20,22,23,25-tetraacetyloxy-21-(acetyloxymethyl)-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-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 | 99.39% | 91.49% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.99% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.98% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.38% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.45% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 95.29% | 99.23% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 94.77% | 95.17% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.87% | 82.69% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 92.14% | 81.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.57% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.39% | 91.11% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 88.41% | 83.00% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 87.69% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.48% | 99.17% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 85.94% | 94.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.24% | 97.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.85% | 91.07% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.66% | 94.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.85% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.64% | 89.00% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 83.44% | 94.42% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.36% | 93.00% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 83.11% | 91.43% |
| CHEMBL5028 | O14672 | ADAM10 | 82.13% | 97.50% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 81.16% | 87.67% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 81.04% | 96.67% |
| CHEMBL2782 | P35610 | Acyl coenzyme A:cholesterol acyltransferase 1 | 80.28% | 91.65% |
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.
| Peritassa campestris |
| PubChem | 163187298 |
| LOTUS | LTS0080414 |
| wikiData | Q105328132 |