1-S-[(1Z)-5-(methylsulfinyl)-N-(sulfooxy)pent-4-enimidoyl]-1-thio-beta-D-glucopyranose
| Internal ID | a44c7a7f-03e2-4829-867e-930438ab8ffd |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Thioglycosides |
| IUPAC Name | (Z)-[5-methylsulfinyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpent-4-enylidene]sulfamic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C12H21NO9S3/c1-24(18)5-3-2-4-8(13-25(19,20)21)23-12-11(17)10(16)9(15)7(6-14)22-12/h3,5,7,9-12,14-17H,2,4,6H2,1H3,(H,19,20,21)/b5-3?,13-8-/t7-,9-,10+,11-,12+,24?/m1/s1 |
| InChI Key | HWABDHHTQMTFMW-OOLORDSESA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C12H21NO9S3 |
| Molecular Weight | 419.50 g/mol |
| Exact Mass | 419.03784477 g/mol |
| Topological Polar Surface Area (TPSA) | 227.00 Ų |
| XlogP | -2.30 |
| There are no found synonyms. |
![2D Structure of 1-S-[(1Z)-5-(methylsulfinyl)-N-(sulfooxy)pent-4-enimidoyl]-1-thio-beta-D-glucopyranose](https://plantaedb.com/storage/docs/compounds/2023/11/1-s-1z-5-methylsulfinyl-n-sulfooxypent-4-enimidoyl-1-thio-beta-d-glucopyranose.jpg "2D Structure of 1-S-[(1Z)-5-(methylsulfinyl)-N-(sulfooxy)pent-4-enimidoyl]-1-thio-beta-D-glucopyranose")
| 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 |
|---|---|---|---|---|
| CHEMBL226 | P30542 | Adenosine A1 receptor | 95.48% | 95.93% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.43% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.11% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.58% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.36% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.51% | 95.56% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 88.36% | 86.92% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 87.08% | 93.10% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.47% | 91.11% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 82.66% | 83.57% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.50% | 98.95% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.48% | 95.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.03% | 96.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.00% | 99.17% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.54% | 95.83% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 80.07% | 92.32% |
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 | 118797910 |
| LOTUS | LTS0223998 |
| wikiData | Q105110575 |