7,7,10',10'-tetramethylspiro[1H-pyrano[2,3-g]indole-2,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2',3,14'-trione
| Internal ID | 2a92e80e-31d0-46c0-a141-d21343a63e0b |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > 2,2-dimethyl-1-benzopyrans |
| IUPAC Name | 7,7,10',10'-tetramethylspiro[1H-pyrano[2,3-g]indole-2,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2',3,14'-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H29N3O4/c1-22(2)10-8-14-16(33-22)7-6-15-18(14)27-26(19(15)30)13-25-17(23(26,3)4)12-24(20(31)28-25)9-5-11-29(24)21(25)32/h6-8,10,17,27H,5,9,11-13H2,1-4H3,(H,28,31) |
| InChI Key | NAADCSUVQCOPLQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H29N3O4 |
| Molecular Weight | 447.50 g/mol |
| Exact Mass | 447.21580641 g/mol |
| Topological Polar Surface Area (TPSA) | 87.70 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of 7,7,10',10'-tetramethylspiro[1H-pyrano[2,3-g]indole-2,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2',3,14'-trione](https://plantaedb.com/storage/docs/compounds/2023/11/edc25c40-8815-11ee-8a70-1571e1f4ee99.jpg "2D Structure of 7,7,10',10'-tetramethylspiro[1H-pyrano[2,3-g]indole-2,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2',3,14'-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 |
|---|---|---|---|---|
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 99.15% | 93.40% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.10% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.61% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.23% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.89% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.48% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.88% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.42% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.19% | 89.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.39% | 94.75% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.92% | 85.14% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.43% | 82.69% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.17% | 93.99% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 87.23% | 99.29% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.21% | 96.77% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.12% | 91.49% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.99% | 93.04% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 86.34% | 90.24% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.07% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.60% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.49% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.28% | 86.33% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 81.60% | 96.67% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 81.44% | 95.34% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.41% | 95.89% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 81.27% | 88.56% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.34% | 95.71% |
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 | 45782861 |
| LOTUS | LTS0171858 |
| wikiData | Q104172218 |