S-(6-hydroxy-1,3-dioxo-4,5,6,6a-tetrahydrocyclopenta[c]pyrrol-3a-yl) 4-hydroxybenzenecarbothioate
| Internal ID | 97e6bc09-e448-4856-83ec-374334a656bf |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives |
| IUPAC Name | S-(6-hydroxy-1,3-dioxo-4,5,6,6a-tetrahydrocyclopenta[c]pyrrol-3a-yl) 4-hydroxybenzenecarbothioate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C14H13NO5S/c16-8-3-1-7(2-4-8)12(19)21-14-6-5-9(17)10(14)11(18)15-13(14)20/h1-4,9-10,16-17H,5-6H2,(H,15,18,20) |
| InChI Key | NVPUUGMGKVACBE-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C14H13NO5S |
| Molecular Weight | 307.32 g/mol |
| Exact Mass | 307.05144369 g/mol |
| Topological Polar Surface Area (TPSA) | 129.00 Ų |
| XlogP | 0.60 |
| There are no found synonyms. |
![2D Structure of S-(6-hydroxy-1,3-dioxo-4,5,6,6a-tetrahydrocyclopenta[c]pyrrol-3a-yl) 4-hydroxybenzenecarbothioate](https://plantaedb.com/storage/docs/compounds/2023/11/s-6-hydroxy-13-dioxo-4566a-tetrahydrocyclopentacpyrrol-3a-yl-4-hydroxybenzenecarbothioate.jpg "2D Structure of S-(6-hydroxy-1,3-dioxo-4,5,6,6a-tetrahydrocyclopenta[c]pyrrol-3a-yl) 4-hydroxybenzenecarbothioate")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.55% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.56% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.81% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.57% | 95.56% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.87% | 92.94% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.04% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.03% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.63% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.75% | 93.40% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.89% | 93.99% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.85% | 89.00% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 83.78% | 85.00% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 83.53% | 85.31% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.51% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.45% | 90.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.90% | 93.04% |
| CHEMBL268 | P43235 | Cathepsin K | 81.73% | 96.85% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.65% | 99.23% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 81.08% | 94.97% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.96% | 95.89% |
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 | 137645742 |
| LOTUS | LTS0065299 |
| wikiData | Q104180065 |