(2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(5-isopropyl-2-methylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
| Internal ID | 1533da6e-f3c5-4721-a4b7-3378fe1ffa4e |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(2-methyl-5-propan-2-ylphenoxy)oxane-3,4,5-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H24O6/c1-8(2)10-5-4-9(3)11(6-10)21-16-15(20)14(19)13(18)12(7-17)22-16/h4-6,8,12-20H,7H2,1-3H3/t12-,13-,14+,15-,16-/m1/s1 |
| InChI Key | XURQNYQJIIMICH-IBEHDNSVSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C16H24O6 |
| Molecular Weight | 312.36 g/mol |
| Exact Mass | 312.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 99.40 Ų |
| XlogP | 1.10 |
| 42035-60-9 |
| carvacrol 3-glucoside |
| E86588 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.63% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.32% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.00% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.67% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.69% | 96.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 90.48% | 89.62% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 86.96% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.71% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.15% | 99.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.71% | 95.89% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 83.67% | 93.65% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.11% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.95% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.62% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.41% | 94.00% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 81.32% | 93.18% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.27% | 89.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.24% | 96.21% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.92% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.74% | 93.56% |
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.
| Monarda punctata |
| PubChem | 101419546 |
| LOTUS | LTS0148284 |
| wikiData | Q105342542 |