S-methyl 2-methoxy-3,5-dimethyl-6-propan-2-yl-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxybenzenecarbothioate
| Internal ID | 455f100c-f84f-4cfb-8527-2f2591271695 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | S-methyl 2-methoxy-3,5-dimethyl-6-propan-2-yl-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxybenzenecarbothioate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H30O7S/c1-8(2)12-9(3)17(10(4)18(25-6)13(12)19(24)28-7)27-20-16(23)15(22)14(21)11(5)26-20/h8,11,14-16,20-23H,1-7H3 |
| InChI Key | CQPBGBNJEZUZBV-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H30O7S |
| Molecular Weight | 414.50 g/mol |
| Exact Mass | 414.17122447 g/mol |
| Topological Polar Surface Area (TPSA) | 131.00 Ų |
| XlogP | 2.50 |
| 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 | 92.83% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.72% | 91.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.72% | 93.56% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.85% | 97.21% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.50% | 94.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.35% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.66% | 89.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.37% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.65% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.43% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.91% | 96.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.99% | 98.95% |
| CHEMBL4374 | Q9Y5X4 | Photoreceptor-specific nuclear receptor | 81.68% | 85.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.78% | 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.
| There are no matching plants. |
| PubChem | 163007991 |
| LOTUS | LTS0087434 |
| wikiData | Q103817951 |