[(1S,3R,13S,14R,17S,18R,19R,20R,21S,22R,23R,24R,25S)-18,19,21,22,24-pentaacetyloxy-14,25-dihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-9-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-20-yl]methyl furan-3-carboxylate
| Internal ID | e1361b1b-97ad-4b98-a75d-be6d34313a4c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | [(1S,3R,13S,14R,17S,18R,19R,20R,21S,22R,23R,24R,25S)-18,19,21,22,24-pentaacetyloxy-14,25-dihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-9-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-20-yl]methyl furan-3-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C41H47NO20/c1-18-25-10-12-42-14-26(25)35(49)54-16-37(7)27-28(56-19(2)43)32(59-22(5)46)40(17-55-34(48)24-11-13-53-15-24)33(60-23(6)47)29(57-20(3)44)31(61-36(50)38(18,8)51)39(9,52)41(40,62-37)30(27)58-21(4)45/h10-15,18,27-33,51-52H,16-17H2,1-9H3/t18-,27+,28+,29-,30+,31-,32+,33-,37-,38+,39-,40+,41-/m0/s1 |
| InChI Key | SNHDYNFTVFWAHX-XCUUYWPVSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C41H47NO20 |
| Molecular Weight | 873.80 g/mol |
| Exact Mass | 873.26914289 g/mol |
| Topological Polar Surface Area (TPSA) | 286.00 Ų |
| XlogP | 0.20 |
| There are no found synonyms. |
![2D Structure of [(1S,3R,13S,14R,17S,18R,19R,20R,21S,22R,23R,24R,25S)-18,19,21,22,24-pentaacetyloxy-14,25-dihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-9-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-20-yl]methyl furan-3-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/9d514ea0-8597-11ee-8912-efc0f64bb0d6.jpg "2D Structure of [(1S,3R,13S,14R,17S,18R,19R,20R,21S,22R,23R,24R,25S)-18,19,21,22,24-pentaacetyloxy-14,25-dihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-9-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-20-yl]methyl furan-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.26% | 85.14% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 97.95% | 97.79% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.63% | 90.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.05% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.97% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.40% | 96.09% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 95.19% | 92.51% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.44% | 98.95% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 94.31% | 81.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.77% | 99.23% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 89.48% | 91.24% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 88.45% | 91.07% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 88.35% | 94.80% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.18% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.60% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.52% | 95.89% |
| CHEMBL5028 | O14672 | ADAM10 | 85.65% | 97.50% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.60% | 94.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.11% | 89.34% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 85.09% | 87.67% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 84.98% | 96.90% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.17% | 82.69% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.83% | 91.11% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.76% | 93.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.22% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.74% | 96.77% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 82.62% | 96.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 80.83% | 93.10% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.48% | 100.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.47% | 98.75% |
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.
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| There are no matching plants. |
| PubChem | 131851468 |
| LOTUS | LTS0219350 |
| wikiData | Q105256445 |