(3R,4S)-4-(4-hydroxy-3,5-dimethoxybenzoyl)-3-(hydroxymethyl)oxolan-2-one
| Internal ID | c081d055-45d8-4448-b4b6-3436f8204257 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones |
| IUPAC Name | (3R,4S)-4-(4-hydroxy-3,5-dimethoxybenzoyl)-3-(hydroxymethyl)oxolan-2-one |
| SMILES (Canonical) | COC1=CC(=CC(=C1O)OC)C(=O)C2COC(=O)C2CO |
| SMILES (Isomeric) | COC1=CC(=CC(=C1O)OC)C(=O)[C@@H]2COC(=O)[C@H]2CO |
| InChI | InChI=1S/C14H16O7/c1-19-10-3-7(4-11(20-2)13(10)17)12(16)9-6-21-14(18)8(9)5-15/h3-4,8-9,15,17H,5-6H2,1-2H3/t8-,9+/m0/s1 |
| InChI Key | QRWAIZWBEOWKHO-DTWKUNHWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H16O7 |
| Molecular Weight | 296.27 g/mol |
| Exact Mass | 296.08960285 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 0.70 |
| 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 | 98.19% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.52% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.93% | 99.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.00% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.69% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.06% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.45% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.27% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.09% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.96% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.90% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.88% | 91.19% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.00% | 96.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.39% | 98.75% |
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.
| Aquilaria sinensis |
| PubChem | 163194501 |
| LOTUS | LTS0062158 |
| wikiData | Q105226691 |