O-propan-2-yl N-[(4-methoxyphenyl)methyl]carbamothioate
| Internal ID | 5428fb7e-a2c5-46a8-ba73-fc3f36e638a0 |
| Taxonomy | Benzenoids > Phenol ethers > Anisoles |
| IUPAC Name | O-propan-2-yl N-[(4-methoxyphenyl)methyl]carbamothioate |
| SMILES (Canonical) | CC(C)OC(=S)NCC1=CC=C(C=C1)OC |
| SMILES (Isomeric) | CC(C)OC(=S)NCC1=CC=C(C=C1)OC |
| InChI | InChI=1S/C12H17NO2S/c1-9(2)15-12(16)13-8-10-4-6-11(14-3)7-5-10/h4-7,9H,8H2,1-3H3,(H,13,16) |
| InChI Key | QNAQPYMHTZPXNT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C12H17NO2S |
| Molecular Weight | 239.34 g/mol |
| Exact Mass | 239.09799996 g/mol |
| Topological Polar Surface Area (TPSA) | 62.60 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of O-propan-2-yl N-[(4-methoxyphenyl)methyl]carbamothioate](https://plantaedb.com/storage/docs/compounds/2023/11/o-propan-2-yl-n-4-methoxyphenylmethylcarbamothioate.jpg "2D Structure of O-propan-2-yl N-[(4-methoxyphenyl)methyl]carbamothioate")
| 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 | 96.62% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.55% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.87% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.45% | 90.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.59% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.12% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.13% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.22% | 94.73% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.07% | 95.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.76% | 98.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.09% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.74% | 96.00% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 81.48% | 87.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.07% | 85.14% |
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.
| Pentadiplandra brazzeana |
| PubChem | 85925849 |
| LOTUS | LTS0167298 |
| wikiData | Q105224303 |