2-(4-Hydroxy-3-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
| Internal ID | 0f6c567e-6044-4d51-ad53-956931f520a9 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | 2-(4-hydroxy-3-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | COC1=C(C=CC(=C1)OC2C(C(C(C(O2)CO)O)O)O)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)OC2C(C(C(C(O2)CO)O)O)O)O |
| InChI | InChI=1S/C13H18O8/c1-19-8-4-6(2-3-7(8)15)20-13-12(18)11(17)10(16)9(5-14)21-13/h2-4,9-18H,5H2,1H3 |
| InChI Key | KWVHACHAQJFTLZ-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C13H18O8 |
| Molecular Weight | 302.28 g/mol |
| Exact Mass | 302.10016753 g/mol |
| Topological Polar Surface Area (TPSA) | 129.00 Ų |
| XlogP | -0.90 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.25% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.75% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.08% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.02% | 99.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.87% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.16% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.72% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.70% | 95.89% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.23% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.59% | 95.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.31% | 89.62% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.55% | 92.94% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.27% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.14% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.27% | 92.62% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 80.26% | 97.36% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.20% | 86.92% |
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.
| Atractylodes lancea |
| Betula pendula |
| Capparis flavicans |
| Glycyrrhiza glabra |
| Hydrangea macrophylla |
| Iodes cirrhosa |
| Itoa orientalis |
| Laguncularia racemosa |
| Myrsine seguinii |
| Picea abies |
| Strychnos axillaris |
| PubChem | 73154502 |
| LOTUS | LTS0085094 |
| wikiData | Q105147126 |