1',5-Dimethyl-2-(methylsulfanylmethyl)spiro[4,5,7,8-tetrahydrocyclopenta[f]quinoxaline-6,3'-indole]-2',3,9-trione
| Internal ID | 23c9c21e-df08-4f8e-9c9f-695e0d350031 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives |
| IUPAC Name | 1',5-dimethyl-2-(methylsulfanylmethyl)spiro[4,5,7,8-tetrahydrocyclopenta[f]quinoxaline-6,3'-indole]-2',3,9-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H21N3O3S/c1-11-18-19(23-14(10-29-3)20(27)24-18)17-13(8-9-16(17)26)22(11)12-6-4-5-7-15(12)25(2)21(22)28/h4-7,11H,8-10H2,1-3H3,(H,24,27) |
| InChI Key | NRFFIDZDMKFXMS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H21N3O3S |
| Molecular Weight | 407.50 g/mol |
| Exact Mass | 407.13036271 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 0.70 |
| There are no found synonyms. |
![2D Structure of 1',5-Dimethyl-2-(methylsulfanylmethyl)spiro[4,5,7,8-tetrahydrocyclopenta[f]quinoxaline-6,3'-indole]-2',3,9-trione](https://plantaedb.com/storage/docs/compounds/2023/11/ea6fc100-8566-11ee-b6bf-35d9b0e91dce.jpg "2D Structure of 1',5-Dimethyl-2-(methylsulfanylmethyl)spiro[4,5,7,8-tetrahydrocyclopenta[f]quinoxaline-6,3'-indole]-2',3,9-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.94% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.26% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.73% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 95.23% | 93.40% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.86% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.34% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.69% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.62% | 94.00% |
| CHEMBL228 | P31645 | Serotonin transporter | 89.01% | 95.51% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 88.73% | 98.59% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.78% | 94.75% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 86.61% | 96.39% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 85.01% | 95.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.65% | 86.33% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 81.38% | 96.67% |
| CHEMBL222 | P23975 | Norepinephrine transporter | 81.10% | 96.06% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.15% | 97.09% |
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.
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| There are no matching plants. |
| PubChem | 162943447 |
| LOTUS | LTS0207103 |
| wikiData | Q104179932 |