5'-benzyl-4,6-dimethylspiro[2,3,4,4a,6,8a-hexahydro-1H-naphthalene-5,3'-pyrrolidine]-2',4'-dione
| Internal ID | 69452def-8ce4-4757-a5c2-e8ef3038c8ad |
| Taxonomy | Benzenoids > Benzene and substituted derivatives |
| IUPAC Name | 5'-benzyl-4,6-dimethylspiro[2,3,4,4a,6,8a-hexahydro-1H-naphthalene-5,3'-pyrrolidine]-2',4'-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H27NO2/c1-14-7-6-10-17-12-11-15(2)22(19(14)17)20(24)18(23-21(22)25)13-16-8-4-3-5-9-16/h3-5,8-9,11-12,14-15,17-19H,6-7,10,13H2,1-2H3,(H,23,25) |
| InChI Key | ZUCYLMDAXHXTEP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H27NO2 |
| Molecular Weight | 337.50 g/mol |
| Exact Mass | 337.204179104 g/mol |
| Topological Polar Surface Area (TPSA) | 46.20 Ų |
| XlogP | 4.90 |
| There are no found synonyms. |
![2D Structure of 5'-benzyl-4,6-dimethylspiro[2,3,4,4a,6,8a-hexahydro-1H-naphthalene-5,3'-pyrrolidine]-2',4'-dione](https://plantaedb.com/storage/docs/compounds/2023/11/5-benzyl-46-dimethylspiro2344a68a-hexahydro-1h-naphthalene-53-pyrrolidine-24-dione.jpg "2D Structure of 5'-benzyl-4,6-dimethylspiro[2,3,4,4a,6,8a-hexahydro-1H-naphthalene-5,3'-pyrrolidine]-2',4'-dione")
| 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 | 98.25% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.31% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.84% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.74% | 90.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.15% | 97.09% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 91.13% | 97.64% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.74% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.25% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.11% | 85.14% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.73% | 82.69% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.36% | 95.89% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.80% | 93.03% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.77% | 98.75% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 80.19% | 94.62% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 80.10% | 96.25% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 163040919 |
| LOTUS | LTS0194493 |
| wikiData | Q104202790 |