NK-372135 B
| Internal ID | 21609b89-98a5-44bf-bfe9-b52395710eed |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | 4-[(Z)-2,3-diisocyano-4-(4-methoxyphenyl)but-1-enyl]-1,2-dimethoxybenzene |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H20N2O3/c1-22-18(12-15-6-9-17(24-3)10-7-15)19(23-2)13-16-8-11-20(25-4)21(14-16)26-5/h6-11,13-14,18H,12H2,3-5H3/b19-13- |
| InChI Key | BUYCBUQNLIMGDZ-UYRXBGFRSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H20N2O3 |
| Molecular Weight | 348.40 g/mol |
| Exact Mass | 348.14739250 g/mol |
| Topological Polar Surface Area (TPSA) | 36.40 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
| 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 | 96.90% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.79% | 99.17% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 90.86% | 90.24% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.10% | 96.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.18% | 98.75% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.59% | 95.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.27% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.16% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.10% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.90% | 95.89% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.60% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.08% | 86.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.68% | 96.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.50% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.36% | 91.11% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.37% | 93.31% |
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.
| There are no matching plants. |
| PubChem | 10066338 |
| LOTUS | LTS0196271 |
| wikiData | Q77421805 |