3-[2,4-Dihydroxy-6-[2-(3-hydroxybutanoyloxy)propyl]benzoyl]oxybutanoic acid
| Internal ID | 1e13d2fe-be33-41eb-825c-9d3c58d834ac |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > p-Hydroxybenzoic acid esters > p-Hydroxybenzoic acid alkyl esters |
| IUPAC Name | 3-[2,4-dihydroxy-6-[2-(3-hydroxybutanoyloxy)propyl]benzoyl]oxybutanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H24O9/c1-9(19)4-16(24)26-10(2)5-12-7-13(20)8-14(21)17(12)18(25)27-11(3)6-15(22)23/h7-11,19-21H,4-6H2,1-3H3,(H,22,23) |
| InChI Key | XLDHIOLFESHLLG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H24O9 |
| Molecular Weight | 384.40 g/mol |
| Exact Mass | 384.14203234 g/mol |
| Topological Polar Surface Area (TPSA) | 151.00 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of 3-[2,4-Dihydroxy-6-[2-(3-hydroxybutanoyloxy)propyl]benzoyl]oxybutanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/3-24-dihydroxy-6-2-3-hydroxybutanoyloxypropylbenzoyloxybutanoic-acid.jpg "2D Structure of 3-[2,4-Dihydroxy-6-[2-(3-hydroxybutanoyloxy)propyl]benzoyl]oxybutanoic 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 | 97.94% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.46% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.53% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.31% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.93% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.65% | 98.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.65% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.44% | 90.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.43% | 95.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.06% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.91% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.79% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.25% | 95.56% |
| CHEMBL3194 | P02766 | Transthyretin | 80.62% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.31% | 89.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.22% | 95.89% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.21% | 96.95% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 80.09% | 82.50% |
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 | 73837458 |
| LOTUS | LTS0183504 |
| wikiData | Q104201090 |