Reessiate
| Internal ID | 23d09a1d-24c1-4e3a-9448-28c127d33cf3 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > p-Hydroxybenzoic acid esters > p-Hydroxybenzoic acid alkyl esters |
| IUPAC Name | (2-formyl-3-hydroxy-5-methoxy-4-methylphenyl)methyl 2,4-dihydroxy-3,6-dimethylbenzoate |
| SMILES (Canonical) | CC1=CC(=C(C(=C1C(=O)OCC2=CC(=C(C(=C2C=O)O)C)OC)O)C)O |
| SMILES (Isomeric) | CC1=CC(=C(C(=C1C(=O)OCC2=CC(=C(C(=C2C=O)O)C)OC)O)C)O |
| InChI | InChI=1S/C19H20O7/c1-9-5-14(21)10(2)18(23)16(9)19(24)26-8-12-6-15(25-4)11(3)17(22)13(12)7-20/h5-7,21-23H,8H2,1-4H3 |
| InChI Key | YIRWILDLGXFQAW-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H20O7 |
| Molecular Weight | 360.40 g/mol |
| Exact Mass | 360.12090297 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 3.80 |
| RefChem:178732 |
| (2-formyl-3-hydroxy-5-methoxy-4-methylphenyl)methyl 2,4-dihydroxy-3,6-dimethylbenzoate |
| Reebetaiate |
| CHEBI:214851 |
| (2-ormyl-3-hydroxy-5-methoxy-4-methylphenyl)methyl 2,4-dihydroxy-3,6-dimethylbenzoate |
| 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 |
|---|---|---|---|---|
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 97.42% | 98.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.16% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.12% | 96.09% |
| CHEMBL3194 | P02766 | Transthyretin | 92.13% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.25% | 94.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.92% | 96.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.23% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.97% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.02% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.88% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.66% | 94.73% |
| CHEMBL5014 | O43353 | Serine/threonine-protein kinase RIPK2 | 83.41% | 86.79% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.04% | 89.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.93% | 82.38% |
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.
| There are no matching plants. |
| PubChem | 139588497 |
| LOTUS | LTS0085793 |
| wikiData | Q104201746 |