Wilfornine G
| Internal ID | 55109f87-eda1-45f5-aaec-a07dc949b283 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | [(1S,3R,17S,18R,19R,20R,21S,22R,23R,24R,25S)-18,19,21,24-tetraacetyloxy-20-(acetyloxymethyl)-25-hydroxy-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-22-yl] pyridine-3-carboxylate |
| SMILES (Canonical) | CC1C(C(=O)OC2C(C(C3(C(C(C4C(C3(C2(C)O)OC4(COC(=O)C5=C1C=CN=C5)C)OC(=O)C)OC(=O)C6=CN=CC=C6)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C |
| SMILES (Isomeric) | CC1C(C(=O)O[C@H]2[C@@H]([C@@H]([C@]3([C@@H]([C@@H]([C@@H]4[C@H]([C@@]3([C@@]2(C)O)O[C@]4(COC(=O)C5=C1C=CN=C5)C)OC(=O)C)OC(=O)C6=CN=CC=C6)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C |
| InChI | InChI=1S/C42H48N2O18/c1-19-20(2)36(50)61-33-31(56-22(4)46)35(59-25(7)49)41(18-54-21(3)45)34(58-24(6)48)30(60-37(51)26-11-10-13-43-15-26)29-32(57-23(5)47)42(41,40(33,9)53)62-39(29,8)17-55-38(52)28-16-44-14-12-27(19)28/h10-16,19-20,29-35,53H,17-18H2,1-9H3/t19?,20?,29-,30-,31+,32-,33+,34-,35+,39+,40+,41-,42+/m1/s1 |
| InChI Key | ULZVPBFZDGWQRA-AIKJRYIHSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C42H48N2O18 |
| Molecular Weight | 868.80 g/mol |
| Exact Mass | 868.29021269 g/mol |
| Topological Polar Surface Area (TPSA) | 266.00 Ų |
| XlogP | 1.00 |
| CHEMBL1950973 |
| 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 | 97.97% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.49% | 86.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.63% | 97.25% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 96.41% | 97.79% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.31% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.24% | 98.95% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 93.08% | 81.11% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 91.67% | 94.80% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 91.57% | 89.34% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.73% | 99.23% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 89.56% | 91.07% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.85% | 90.17% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 88.69% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.00% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.77% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.50% | 91.49% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 86.29% | 91.24% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.26% | 96.77% |
| CHEMBL5028 | O14672 | ADAM10 | 84.71% | 97.50% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 84.67% | 96.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.43% | 94.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.57% | 100.00% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 82.03% | 95.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.43% | 90.00% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 80.82% | 94.42% |
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.
| Tripterygium wilfordii |
| PubChem | 57395888 |
| LOTUS | LTS0159496 |
| wikiData | Q105275442 |