[4-[(Z)-2-[bis(methylsulfanyl)methylideneamino]ethenyl]phenyl] hydrogen sulfate
| Internal ID | e87f2441-dfe7-435f-a20c-63999f9f5a47 |
| Taxonomy | Organic acids and derivatives > Organic sulfuric acids and derivatives > Arylsulfates > Phenylsulfates |
| IUPAC Name | [4-[(Z)-2-[bis(methylsulfanyl)methylideneamino]ethenyl]phenyl] hydrogen sulfate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C11H13NO4S3/c1-17-11(18-2)12-8-7-9-3-5-10(6-4-9)16-19(13,14)15/h3-8H,1-2H3,(H,13,14,15)/b8-7- |
| InChI Key | MQNPVMCYNHGNSQ-FPLPWBNLSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C11H13NO4S3 |
| Molecular Weight | 319.40 g/mol |
| Exact Mass | 319.00067142 g/mol |
| Topological Polar Surface Area (TPSA) | 135.00 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of [4-[(Z)-2-[bis(methylsulfanyl)methylideneamino]ethenyl]phenyl] hydrogen sulfate](https://plantaedb.com/storage/docs/compounds/2023/11/4-z-2-bismethylsulfanylmethylideneaminoethenylphenyl-hydrogen-sulfate.jpg "2D Structure of [4-[(Z)-2-[bis(methylsulfanyl)methylideneamino]ethenyl]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 |
|---|---|---|---|---|
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.79% | 96.00% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 95.75% | 83.57% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.53% | 95.56% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 92.83% | 92.51% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.88% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.71% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.55% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.19% | 94.45% |
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 | 21672053 |
| LOTUS | LTS0234814 |
| wikiData | Q105170131 |