6'-Methoxy-6-(2-methylprop-1-enyl)spiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,3'-indoline]-2,2',8-trione
| Internal ID | 2acdc761-576b-4e49-8603-859b672de4d5 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | 6'-methoxy-6-(2-methylprop-1-enyl)spiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,3'-1H-indole]-2,2',8-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H25N3O4/c1-12(2)9-18-22(14-7-6-13(29-3)10-15(14)23-21(22)28)11-17-19(26)24-8-4-5-16(24)20(27)25(17)18/h6-7,9-10,16-18H,4-5,8,11H2,1-3H3,(H,23,28) |
| InChI Key | MQJKGSIAJNXSCM-UHFFFAOYSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C22H25N3O4 |
| Molecular Weight | 395.50 g/mol |
| Exact Mass | 395.18450629 g/mol |
| Topological Polar Surface Area (TPSA) | 79.00 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of 6'-Methoxy-6-(2-methylprop-1-enyl)spiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,3'-indoline]-2,2',8-trione](https://plantaedb.com/storage/docs/compounds/2023/11/e0ddc440-8644-11ee-8de0-f70b4ed0bc1b.jpg "2D Structure of 6'-Methoxy-6-(2-methylprop-1-enyl)spiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,3'-indoline]-2,2',8-trione")
| 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 | 98.64% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.47% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.96% | 91.11% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 97.67% | 97.05% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.42% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.42% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 95.51% | 95.89% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 94.34% | 91.03% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.75% | 94.45% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 93.28% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.86% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.30% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.23% | 90.00% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 89.41% | 92.97% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.31% | 97.14% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.33% | 93.40% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.17% | 93.03% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.64% | 94.00% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 85.04% | 99.18% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.29% | 93.00% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 83.01% | 94.78% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.83% | 91.07% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 81.47% | 90.24% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.41% | 82.38% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.20% | 82.69% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.87% | 91.19% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.18% | 90.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.17% | 98.75% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 75989782 |
| LOTUS | LTS0132063 |
| wikiData | Q104171965 |