1-[3-Methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone
| Internal ID | 133422ee-b495-453f-a781-ac37692be891 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | 1-[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone |
| SMILES (Canonical) | CC(=O)C1=CC(=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)OC |
| SMILES (Isomeric) | CC(=O)C1=CC(=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)OC |
| InChI | InChI=1S/C15H20O8/c1-7(17)8-3-4-9(10(5-8)21-2)22-15-14(20)13(19)12(18)11(6-16)23-15/h3-5,11-16,18-20H,6H2,1-2H3 |
| InChI Key | QUOZWMJFTQUXON-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H20O8 |
| Molecular Weight | 328.31 g/mol |
| Exact Mass | 328.11581759 g/mol |
| Topological Polar Surface Area (TPSA) | 126.00 Ų |
| XlogP | -1.40 |
| FT-0686572 |
![2D Structure of 1-[3-Methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone](https://plantaedb.com/storage/docs/compounds/2023/11/1-3-methoxy-4-345-trihydroxy-6-hydroxymethyloxan-2-yloxyphenylethanone.jpg "2D Structure of 1-[3-Methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone")
| 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 | 96.73% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.62% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.55% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.80% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.37% | 96.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 87.13% | 90.20% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.99% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.36% | 89.00% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 85.33% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.31% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.32% | 94.73% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.07% | 92.94% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.78% | 95.89% |
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.
| Iris domestica |
| Neopicrorhiza scrophulariiflora |
| Picea glauca |
| Picea obovata |
| Pyrola japonica |
| Sargentodoxa cuneata |
| Stachys byzantina |
| Thymus vulgaris |
| PubChem | 12306788 |
| LOTUS | LTS0194445 |
| wikiData | Q105228325 |