[4-[2,3-Diisocyano-4-(4-methoxyphenyl)buta-1,3-dienyl]phenyl] hydrogen sulfate
| Internal ID | 02c34d8b-8d01-4083-8cc2-e3bfed0cfc10 |
| IUPAC Name | [4-[2,3-diisocyano-4-(4-methoxyphenyl)buta-1,3-dienyl]phenyl] hydrogen sulfate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H14N2O5S/c1-20-18(12-14-4-8-16(25-3)9-5-14)19(21-2)13-15-6-10-17(11-7-15)26-27(22,23)24/h4-13H,3H3,(H,22,23,24) |
| InChI Key | AFDVXUYMZKBPPT-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H14N2O5S |
| Molecular Weight | 382.40 g/mol |
| Exact Mass | 382.06234272 g/mol |
| Topological Polar Surface Area (TPSA) | 89.90 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of [4-[2,3-Diisocyano-4-(4-methoxyphenyl)buta-1,3-dienyl]phenyl] hydrogen sulfate](https://plantaedb.com/storage/docs/compounds/2023/11/4-23-diisocyano-4-4-methoxyphenylbuta-13-dienylphenyl-hydrogen-sulfate.jpg "2D Structure of [4-[2,3-Diisocyano-4-(4-methoxyphenyl)buta-1,3-dienyl]phenyl] hydrogen sulfate")
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.95% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.55% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.92% | 96.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.57% | 94.45% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 83.06% | 90.24% |
| CHEMBL1907599 | P05556 | Integrin alpha-4/beta-1 | 82.51% | 92.86% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.16% | 90.00% |
| CHEMBL308 | P06493 | Cyclin-dependent kinase 1 | 81.90% | 91.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.44% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.14% | 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.
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| There are no matching plants. |
| PubChem | 85045514 |
| LOTUS | LTS0228146 |
| wikiData | Q104911049 |