CID 139590432
| Internal ID | 51590e8a-a668-4f90-9f47-d97d2f7def60 |
| Taxonomy | Organoheterocyclic compounds > Azaspirodecane derivatives |
| IUPAC Name | (1'R,3S,7'R,9'R)-10',10'-dimethylspiro[1H-indole-3,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2,2',14'-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H23N3O3/c1-18(2)14-10-19-8-5-9-24(19)17(27)21(14,23-15(19)25)11-20(18)12-6-3-4-7-13(12)22-16(20)26/h3-4,6-7,14H,5,8-11H2,1-2H3,(H,22,26)(H,23,25)/t14-,19-,20+,21-/m1/s1 |
| InChI Key | PZTOWERCGLXQSU-MSPZUWAUSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H23N3O3 |
| Molecular Weight | 365.40 g/mol |
| Exact Mass | 365.17394160 g/mol |
| Topological Polar Surface Area (TPSA) | 78.50 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.63% | 98.95% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 95.00% | 82.69% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.90% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.34% | 93.40% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 93.22% | 92.97% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.05% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.09% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.80% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.15% | 94.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.96% | 93.99% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.70% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.32% | 97.09% |
| CHEMBL238 | Q01959 | Dopamine transporter | 85.63% | 95.88% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 84.67% | 85.49% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 84.58% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.31% | 90.00% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 83.16% | 88.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.87% | 99.23% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.96% | 90.24% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.80% | 85.14% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.15% | 93.03% |
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 | 139590432 |
| LOTUS | LTS0079810 |
| wikiData | Q105217116 |