16-Ketoaspergillimide
| Internal ID | 2f3013ec-21e1-47e7-8b59-5a57d938b4d7 |
| Taxonomy | Organoheterocyclic compounds > Azaspirodecane derivatives |
| IUPAC Name | 1',6,10,10,13-pentamethylspiro[3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane-11,3'-pyrrolidine]-2',4,5',14-tetrone |
| SMILES (Canonical) | CC1CC(=O)N2C13CC4C(C5(CC(=O)N(C5=O)C)CC4(C2)N(C3=O)C)(C)C |
| SMILES (Isomeric) | CC1CC(=O)N2C13CC4C(C5(CC(=O)N(C5=O)C)CC4(C2)N(C3=O)C)(C)C |
| InChI | InChI=1S/C20H27N3O4/c1-11-6-13(24)23-10-19-9-18(8-14(25)21(4)15(18)26)17(2,3)12(19)7-20(11,23)16(27)22(19)5/h11-12H,6-10H2,1-5H3 |
| InChI Key | YAYKUKWEFJDSJG-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H27N3O4 |
| Molecular Weight | 373.40 g/mol |
| Exact Mass | 373.20015635 g/mol |
| Topological Polar Surface Area (TPSA) | 78.00 Ų |
| XlogP | -0.20 |
| ZHA78450 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.22% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.52% | 96.09% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 89.70% | 94.50% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 88.41% | 95.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.94% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.95% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.99% | 89.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 83.27% | 82.38% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.25% | 95.56% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 81.97% | 94.78% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.45% | 94.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.23% | 86.33% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.62% | 93.40% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.57% | 97.05% |
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 | 46829795 |
| LOTUS | LTS0105932 |
| wikiData | Q104201525 |