Threo-L-3-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-2-hydroxybutanoic acid
| Internal ID | f365d6e2-74ba-41a9-b2a3-10e213d1c5e3 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > p-Hydroxybenzoic acid esters > p-Hydroxybenzoic acid alkyl esters |
| IUPAC Name | (2S,3R)-3-(2,4-dihydroxy-6-methylbenzoyl)oxy-2-hydroxybutanoic acid |
| SMILES (Canonical) | CC1=CC(=CC(=C1C(=O)OC(C)C(C(=O)O)O)O)O |
| SMILES (Isomeric) | CC1=CC(=CC(=C1C(=O)O[C@H](C)[C@@H](C(=O)O)O)O)O |
| InChI | InChI=1S/C12H14O7/c1-5-3-7(13)4-8(14)9(5)12(18)19-6(2)10(15)11(16)17/h3-4,6,10,13-15H,1-2H3,(H,16,17)/t6-,10+/m1/s1 |
| InChI Key | FVDXFIDUJCLVRQ-LDWIPMOCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C12H14O7 |
| Molecular Weight | 270.23 g/mol |
| Exact Mass | 270.07395278 g/mol |
| Topological Polar Surface Area (TPSA) | 124.00 Ų |
| XlogP | 1.40 |
| CHEBI:189362 |
| (2S,3R)-3-(2,4-dihydroxy-6-methylbenzoyl)oxy-2-hydroxybutanoic acid |
![2D Structure of Threo-L-3-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-2-hydroxybutanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/threo-l-3-24-dihydroxy-6-methylbenzoyloxy-2-hydroxybutanoic-acid.jpg "2D Structure of Threo-L-3-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-2-hydroxybutanoic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 92.63% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.56% | 99.15% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.03% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.57% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.46% | 94.45% |
| CHEMBL3194 | P02766 | Transthyretin | 87.11% | 90.71% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.89% | 93.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.86% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.98% | 95.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.90% | 95.50% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.66% | 97.21% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.94% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.27% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.52% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.12% | 96.00% |
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 | 139584308 |
| LOTUS | LTS0226414 |
| wikiData | Q77310186 |