(rel)-Asperparaline A
| Internal ID | 6e258f46-cc36-466a-89b3-c4f67666d5ee |
| Taxonomy | Organoheterocyclic compounds > Azaspirodecane derivatives |
| IUPAC Name | (1S,6S,7R,9S,11S)-1',6,10,10,13-pentamethylspiro[3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane-11,3'-pyrrolidine]-2',5',14-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H29N3O3/c1-12-6-7-23-11-19-10-18(9-14(24)21(4)15(18)25)17(2,3)13(19)8-20(12,23)16(26)22(19)5/h12-13H,6-11H2,1-5H3/t12-,13-,18-,19+,20+/m0/s1 |
| InChI Key | RTNMRJRMTGSUAE-YDIRCUSSSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C20H29N3O3 |
| Molecular Weight | 359.50 g/mol |
| Exact Mass | 359.22089180 g/mol |
| Topological Polar Surface Area (TPSA) | 60.90 Ų |
| XlogP | 0.70 |
| SCHEMBL12240826 |
| AKOS040755933 |
| 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 | 97.21% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.74% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.21% | 85.14% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 90.95% | 93.40% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 89.70% | 94.78% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.29% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.21% | 89.00% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 85.04% | 91.38% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.89% | 92.94% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.64% | 91.03% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 81.74% | 95.38% |
| CHEMBL4660 | P28907 | Lymphocyte differentiation antigen CD38 | 81.72% | 95.27% |
| CHEMBL1938212 | Q9UPP1 | Histone lysine demethylase PHF8 | 81.15% | 98.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.86% | 95.56% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 80.72% | 94.50% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.67% | 94.75% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.00% | 96.77% |
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 | 10594637 |
| LOTUS | LTS0072505 |
| wikiData | Q105245285 |