Scedapin E
| Internal ID | 400e0423-2ad5-4426-9b4a-f9511fe9dc70 |
| Taxonomy | Organoheterocyclic compounds > Pyridopyrimidines |
| IUPAC Name | (11R,13S,15R)-15-hydroxy-16,16-dimethylspiro[14-oxa-2,10-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7-tetraene-13,3'-1H-indole]-2',9,17-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H19N3O5/c1-21(2)17(27)18-24-14-9-5-3-7-12(14)19(28)26(18)16-11-22(31-23(16,21)30)13-8-4-6-10-15(13)25-20(22)29/h3-10,16,30H,11H2,1-2H3,(H,25,29)/t16-,22+,23+/m1/s1 |
| InChI Key | BHSVORMFPXUPEG-XARZLDAJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H19N3O5 |
| Molecular Weight | 417.40 g/mol |
| Exact Mass | 417.13247072 g/mol |
| Topological Polar Surface Area (TPSA) | 108.00 Ų |
| XlogP | 1.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.60% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 97.72% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.93% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.70% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.19% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.74% | 86.33% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 91.37% | 96.25% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.16% | 94.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.13% | 94.00% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 88.37% | 96.39% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 88.29% | 95.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 86.64% | 94.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.08% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.74% | 90.00% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 85.17% | 85.11% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.82% | 91.11% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 81.76% | 92.97% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.38% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.24% | 97.09% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 80.09% | 95.00% |
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 | 139591093 |
| LOTUS | LTS0216531 |
| wikiData | Q104936213 |