1,3-Benzodioxol-5-yl(piperidin-1-yl)methanethione
| Internal ID | 5dbe2b99-29b5-45ea-9e61-6503df6593e7 |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | 1,3-benzodioxol-5-yl(piperidin-1-yl)methanethione |
| SMILES (Canonical) | C1CCN(CC1)C(=S)C2=CC3=C(C=C2)OCO3 |
| SMILES (Isomeric) | C1CCN(CC1)C(=S)C2=CC3=C(C=C2)OCO3 |
| InChI | InChI=1S/C13H15NO2S/c17-13(14-6-2-1-3-7-14)10-4-5-11-12(8-10)16-9-15-11/h4-5,8H,1-3,6-7,9H2 |
| InChI Key | GRKFQNCLGKIJKV-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C13H15NO2S |
| Molecular Weight | 249.33 g/mol |
| Exact Mass | 249.08234989 g/mol |
| Topological Polar Surface Area (TPSA) | 53.80 Ų |
| XlogP | 2.60 |
| 77129-70-5 |
| MLS000533230 |
| CHEMBL1492484 |
| NSC 406673 |
| SMR000140668 |
| NSC406673 |
| Opera_ID_1929 |
| Oprea1_734926 |
| DTXSID50324420 |
| HMS2185H21 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL2039 | P27338 | Monoamine oxidase B |
15390 nM |
IC50 |
PMID: 23819826
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 95.55% | 83.57% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.04% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 93.83% | 90.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.87% | 96.77% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.56% | 93.40% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 89.37% | 90.24% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.53% | 93.99% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 86.26% | 96.76% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.53% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.39% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.40% | 95.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.10% | 89.62% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 82.50% | 91.43% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.08% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.52% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.45% | 96.09% |
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.
To see more specific details click the taxa you are interested in.
| Piper nigrum |
| PubChem | 347809 |
| NPASS | NPC416184 |
| ChEMBL | CHEMBL1492484 |
| LOTUS | LTS0210283 |
| wikiData | Q82084059 |