(5R)-1'-methoxy-2-methylsulfanylspiro[4H-1,3-thiazole-5,2'-indole]-3'-one
| Internal ID | a0735592-f683-418c-98ab-9e452c4e5d0c |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives |
| IUPAC Name | (5R)-1'-methoxy-2-methylsulfanylspiro[4H-1,3-thiazole-5,2'-indole]-3'-one |
| SMILES (Canonical) | CON1C2=CC=CC=C2C(=O)C13CN=C(S3)SC |
| SMILES (Isomeric) | CON1C2=CC=CC=C2C(=O)[C@]13CN=C(S3)SC |
| InChI | InChI=1S/C12H12N2O2S2/c1-16-14-9-6-4-3-5-8(9)10(15)12(14)7-13-11(17-2)18-12/h3-6H,7H2,1-2H3/t12-/m1/s1 |
| InChI Key | NWXCYTLRPXQKOZ-GFCCVEGCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C12H12N2O2S2 |
| Molecular Weight | 280.40 g/mol |
| Exact Mass | 280.03401998 g/mol |
| Topological Polar Surface Area (TPSA) | 92.50 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of (5R)-1'-methoxy-2-methylsulfanylspiro[4H-1,3-thiazole-5,2'-indole]-3'-one](https://plantaedb.com/storage/docs/compounds/2023/11/5r-1-methoxy-2-methylsulfanylspiro4h-13-thiazole-52-indole-3-one.jpg "2D Structure of (5R)-1'-methoxy-2-methylsulfanylspiro[4H-1,3-thiazole-5,2'-indole]-3'-one")
| 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 | 97.40% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.79% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.59% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.82% | 83.82% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 88.89% | 96.67% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.34% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.25% | 99.23% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.95% | 93.40% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 83.82% | 93.65% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.56% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.44% | 86.33% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.08% | 82.69% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.97% | 90.17% |
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.
| Erucastrum gallicum |
| PubChem | 102177295 |
| LOTUS | LTS0078478 |
| wikiData | Q105186849 |