5-Methyl-4-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxychromen-2-one
| Internal ID | 2e6a69cd-8d58-495b-9b13-3a8dbbb487bc |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Monosaccharides > Hexoses |
| IUPAC Name | 5-methyl-4-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxychromen-2-one |
| SMILES (Canonical) | CC1=C2C(=CC=C1)OC(=O)C=C2OC3C(OC(C(C3O)O)O)CO |
| SMILES (Isomeric) | CC1=C2C(=CC=C1)OC(=O)C=C2OC3C(OC(C(C3O)O)O)CO |
| InChI | InChI=1S/C16H18O8/c1-7-3-2-4-8-12(7)9(5-11(18)22-8)23-15-10(6-17)24-16(21)14(20)13(15)19/h2-5,10,13-17,19-21H,6H2,1H3 |
| InChI Key | PPQQTWHDPXUTNZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H18O8 |
| Molecular Weight | 338.31 g/mol |
| Exact Mass | 338.10016753 g/mol |
| Topological Polar Surface Area (TPSA) | 126.00 Ų |
| XlogP | -0.70 |
| There are no found synonyms. |
![2D Structure of 5-Methyl-4-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxychromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/5-methyl-4-456-trihydroxy-2-hydroxymethyloxan-3-yloxychromen-2-one.jpg "2D Structure of 5-Methyl-4-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxychromen-2-one")
| 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 | 97.05% | 91.11% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 96.60% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.31% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.79% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.45% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.08% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.42% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.10% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.96% | 94.45% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 87.54% | 96.21% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.94% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.55% | 83.82% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 83.63% | 93.65% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.52% | 99.23% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 81.86% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.58% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.68% | 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.
| Gerbera jamesonii |
| PubChem | 162940555 |
| LOTUS | LTS0100973 |
| wikiData | Q105213003 |