Thiourea, N,N'-bis[(4-methoxyphenyl)methyl]-
| Internal ID | 44993fbb-616a-4bdc-a806-4c7336c367cb |
| Taxonomy | Benzenoids > Phenol ethers > Anisoles |
| IUPAC Name | 1,3-bis[(4-methoxyphenyl)methyl]thiourea |
| SMILES (Canonical) | COC1=CC=C(C=C1)CNC(=S)NCC2=CC=C(C=C2)OC |
| SMILES (Isomeric) | COC1=CC=C(C=C1)CNC(=S)NCC2=CC=C(C=C2)OC |
| InChI | InChI=1S/C17H20N2O2S/c1-20-15-7-3-13(4-8-15)11-18-17(22)19-12-14-5-9-16(21-2)10-6-14/h3-10H,11-12H2,1-2H3,(H2,18,19,22) |
| InChI Key | AEVPFOZAPNAKHW-UHFFFAOYSA-N |
| Popularity | 7 references in papers |
| Molecular Formula | C17H20N2O2S |
| Molecular Weight | 316.40 g/mol |
| Exact Mass | 316.12454906 g/mol |
| Topological Polar Surface Area (TPSA) | 74.60 Ų |
| XlogP | 2.90 |
| N,N'-bis(4-methoxybenzyl)thiourea |
| 1,3-bis[(4-methoxyphenyl)methyl]thiourea |
| Thiourea, N,N'-bis[(4-methoxyphenyl)methyl]- |
| HMS2649L05 |
| MLS000663737 |
| SCHEMBL3822991 |
| CHEMBL1558265 |
| DTXSID60356818 |
| AKOS001060107 |
| UPCMLD0ENAT5216110:001 |
| There are more than 10 synonyms. If you wish to see them all click here. |
![2D Structure of Thiourea, N,N'-bis[(4-methoxyphenyl)methyl]-](https://plantaedb.com/storage/docs/compounds/2023/11/thiourea-nn-bis4-methoxyphenylmethyl-.jpg "2D Structure of Thiourea, N,N'-bis[(4-methoxyphenyl)methyl]-")
| 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 | 96.00% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.44% | 91.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 93.91% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.77% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.96% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.18% | 95.56% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 87.11% | 90.24% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.96% | 94.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.58% | 95.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.68% | 99.17% |
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.
| Pentadiplandra brazzeana |
| Tropaeolum tuberosum |
| PubChem | 834166 |
| LOTUS | LTS0226689 |
| wikiData | Q82136404 |