Xestospongin C
| Internal ID | 8264bf37-129a-43d4-bcae-0b6fa7b027dd |
| Taxonomy | Organoheterocyclic compounds > Piperidines |
| IUPAC Name | (1S,8R,10S,15R,22R,29S)-9,30-dioxa-11,25-diazapentacyclo[20.6.2.28,11.010,15.025,29]dotriacontane |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H50N2O2/c1-3-7-15-25-17-21-30-20-10-14-24(28(30)31-25)12-6-2-4-8-16-26-18-22-29-19-9-13-23(11-5-1)27(29)32-26/h23-28H,1-22H2/t23-,24+,25-,26-,27+,28+/m1/s1 |
| InChI Key | PQYOPBRFUUEHRC-HCKQMYSWSA-N |
| Popularity | 102 references in papers |
| Molecular Formula | C28H50N2O2 |
| Molecular Weight | 446.70 g/mol |
| Exact Mass | 446.38722884 g/mol |
| Topological Polar Surface Area (TPSA) | 24.90 Ų |
| XlogP | 7.40 |
| Araguspongine E |
| Araguspongin E |
| (-)-xestospongin C |
| 88903-69-9 |
| (1R,4aR,11R,12aS,13S,16aS,23R,24aS)-Eicosahydro-5H,17H-1,23:11,13-diethano-2H,14H-[1,11]dioxacycloeicosino[2,3-b:12,13-b']dipyridine |
| (1S,8R,10S,15R,22R,29S)-9,30-dioxa-11,25-diazapentacyclo[20.6.2.28,11.010,15.025,29]dotriacontane |
| Xestospongin C, film |
| CHEMBL515501 |
| SCHEMBL13820264 |
| DTXSID50893520 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 92.39% | 99.29% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.32% | 97.25% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 90.35% | 99.18% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 89.95% | 94.78% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 89.72% | 98.10% |
| CHEMBL2730 | P21980 | Protein-glutamine gamma-glutamyltransferase | 89.27% | 92.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.51% | 95.89% |
| CHEMBL3023 | Q9NRA0 | Sphingosine kinase 2 | 87.42% | 95.61% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 87.19% | 98.46% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 85.91% | 93.04% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 84.84% | 98.99% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 84.68% | 80.71% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 84.50% | 95.58% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.40% | 97.09% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.36% | 95.50% |
| CHEMBL238 | Q01959 | Dopamine transporter | 82.44% | 95.88% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 82.34% | 98.33% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 82.27% | 95.83% |
| CHEMBL4296 | Q15858 | Sodium channel protein type IX alpha subunit | 82.11% | 96.11% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 81.94% | 90.24% |
| CHEMBL1991 | O14920 | Inhibitor of nuclear factor kappa B kinase beta subunit | 80.95% | 97.15% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.26% | 92.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.11% | 94.45% |
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.
| There are no matching plants. |
| PubChem | 9846431 |
| LOTUS | LTS0094394 |
| wikiData | Q81982600 |