(2-Carboxy-4-formyl-3,5-dihydroxyphenyl)methyl 3-formyl-2,4-dihydroxy-6-methylbenzoate
| Internal ID | 73d50b67-de23-4f28-86ef-f3394b15bc22 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > p-Hydroxybenzoic acid esters > p-Hydroxybenzoic acid alkyl esters |
| IUPAC Name | 3-formyl-6-[(3-formyl-2,4-dihydroxy-6-methylbenzoyl)oxymethyl]-2,4-dihydroxybenzoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H14O10/c1-7-2-11(21)9(4-19)15(23)13(7)18(27)28-6-8-3-12(22)10(5-20)16(24)14(8)17(25)26/h2-5,21-24H,6H2,1H3,(H,25,26) |
| InChI Key | QAUIZXBSXBMGCF-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C18H14O10 |
| Molecular Weight | 390.30 g/mol |
| Exact Mass | 390.05869664 g/mol |
| Topological Polar Surface Area (TPSA) | 179.00 Ų |
| XlogP | 2.90 |
| 529-50-0 |
| 3-Formyl-6-[(3-formyl-2,4-dihydroxy-6-methylbenzoyl)oxymethyl]-2,4-dihydroxybenzoic acid |
| CHEBI:144198 |
| DTXSID001126675 |
| (2-Carboxy-4-formyl-3,5-dihydroxyphenyl)methyl 3-formyl-2,4-dihydroxy-6-methylbenzoate |
| 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 | 97.53% | 98.11% |
| CHEMBL3194 | P02766 | Transthyretin | 94.02% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.42% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.71% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.61% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.75% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.41% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.21% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.14% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.60% | 99.17% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 82.60% | 94.42% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.14% | 91.71% |
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 | 12299981 |
| LOTUS | LTS0081438 |
| wikiData | Q105217621 |