Pyrropirone F
| Internal ID | c357d4ac-e000-4a1b-a6a7-429fa428398a |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Eicosanoids > Prostaglandins and related compounds |
| IUPAC Name | (1S,3S,4S,7S,8S,10R,12S,13R,14S,21R,25R,26S)-3,21-dihydroxy-4,6,8,10,12-pentamethyl-15-oxa-22-azaheptacyclo[12.9.3.216,19.11,21.04,25.07,26.08,13]nonacos-5-ene-23,24-dione |
| SMILES (Canonical) | CC1CC(C2C3C4C(C2(C1)C)C(=CC5(C4C(=O)C6(CC5O)CC(CC7CCC(O3)CC7)(NC6=O)O)C)C)C |
| SMILES (Isomeric) | C[C@@H]1C[C@@H]([C@H]2[C@@H]3[C@H]4[C@H]([C@@]2(C1)C)C(=C[C@]5([C@@H]4C(=O)[C@]6(C[C@@H]5O)C[C@](CC7CCC(O3)CC7)(NC6=O)O)C)C)C |
| InChI | InChI=1S/C32H47NO5/c1-16-10-17(2)24-26-22-23(30(24,5)11-16)18(3)12-29(4)21(34)14-31(27(35)25(22)29)15-32(37,33-28(31)36)13-19-6-8-20(38-26)9-7-19/h12,16-17,19-26,34,37H,6-11,13-15H2,1-5H3,(H,33,36)/t16-,17+,19?,20?,21+,22+,23-,24+,25+,26+,29-,30+,31+,32-/m1/s1 |
| InChI Key | GJBRNWIRRXYOMO-SMNFUBRTSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H47NO5 |
| Molecular Weight | 525.70 g/mol |
| Exact Mass | 525.34542360 g/mol |
| Topological Polar Surface Area (TPSA) | 95.90 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.85% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.96% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.84% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.59% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.23% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.44% | 85.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.40% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.38% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.44% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.15% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.04% | 94.45% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 86.98% | 86.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.86% | 93.40% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.79% | 86.33% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 85.65% | 96.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.91% | 92.94% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 84.23% | 97.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.33% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.76% | 95.89% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.11% | 93.04% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.86% | 96.43% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.46% | 94.00% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 80.55% | 94.78% |
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 | 139590341 |
| LOTUS | LTS0132892 |
| wikiData | Q105106941 |