Euphorbialoid F
| Internal ID | 9fd1ae31-56e0-4f8a-a0e1-241b0e50e919 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Pentacarboxylic acids and derivatives |
| IUPAC Name | [(1S,2R,3R,4S,5S,7R,8S,9R,10R,11S)-2,7-diacetyloxy-11-(2-acetyloxypropan-2-yl)-5,9-dimethyl-14-oxo-4-propanoyloxy-16-oxatetracyclo[7.5.2.01,10.03,7]hexadec-12-en-8-yl] pyridine-3-carboxylate |
| SMILES (Canonical) | CCC(=O)OC1C(CC2(C1C(C34COC(C3C(C=CC4=O)C(C)(C)OC(=O)C)(C2OC(=O)C5=CN=CC=C5)C)OC(=O)C)OC(=O)C)C |
| SMILES (Isomeric) | CCC(=O)O[C@H]1[C@H](C[C@]2([C@H]1[C@H]([C@@]34CO[C@]([C@@H]3[C@H](C=CC4=O)C(C)(C)OC(=O)C)([C@@H]2OC(=O)C5=CN=CC=C5)C)OC(=O)C)OC(=O)C)C |
| InChI | InChI=1S/C35H43NO12/c1-9-25(41)45-27-18(2)15-35(48-21(5)39)26(27)29(44-19(3)37)34-17-43-33(8,31(35)46-30(42)22-11-10-14-36-16-22)28(34)23(12-13-24(34)40)32(6,7)47-20(4)38/h10-14,16,18,23,26-29,31H,9,15,17H2,1-8H3/t18-,23-,26+,27-,28-,29+,31-,33+,34+,35+/m0/s1 |
| InChI Key | PCIUYMZKLOLSFK-ZAJKPFSGSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C35H43NO12 |
| Molecular Weight | 669.70 g/mol |
| Exact Mass | 669.27852581 g/mol |
| Topological Polar Surface Area (TPSA) | 171.00 Ų |
| XlogP | 2.50 |
| CHEMBL2030584 |
| 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 |
|---|---|---|---|---|
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 99.64% | 89.34% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.94% | 98.95% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 98.58% | 97.79% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.00% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.76% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.88% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.60% | 97.25% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 95.35% | 81.11% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 91.79% | 87.67% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.97% | 99.23% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 89.69% | 91.07% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.17% | 89.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 86.20% | 91.24% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 84.64% | 92.97% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 84.29% | 98.75% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.28% | 96.77% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.85% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.60% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.35% | 94.00% |
| CHEMBL4662 | P28074 | Proteasome Macropain subunit MB1 | 81.88% | 93.85% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 81.28% | 97.05% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.85% | 95.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.78% | 97.09% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.67% | 96.90% |
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.
| Euphorbia prolifera |
| PubChem | 60168077 |
| LOTUS | LTS0096959 |
| wikiData | Q105205762 |