1,4,5-Trihydroxypentan-2-one
| Internal ID | 5fc00cc2-28ac-4a03-abee-6bee6ef62e78 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Ketones > Beta-hydroxy ketones |
| IUPAC Name | 1,4,5-trihydroxypentan-2-one |
| SMILES (Canonical) | C(C(CO)O)C(=O)CO |
| SMILES (Isomeric) | C(C(CO)O)C(=O)CO |
| InChI | InChI=1S/C5H10O4/c6-2-4(8)1-5(9)3-7/h4,6-8H,1-3H2 |
| InChI Key | KKLZOXZZESQNKR-UHFFFAOYSA-N |
| Popularity | 8 references in papers |
| Molecular Formula | C5H10O4 |
| Molecular Weight | 134.13 g/mol |
| Exact Mass | 134.05790880 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | -2.10 |
| 3-Deoxypentulose |
| 3343-53-1 |
| 2-Pentanone, 1,4,5-trihydroxy- |
| SCHEMBL12871589 |
| DTXSID00955061 |
| AKOS006372786 |
| W-202367 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.57% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.27% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.84% | 91.11% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.56% | 96.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.52% | 99.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.57% | 100.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 81.42% | 97.29% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 80.67% | 93.18% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.63% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.28% | 94.45% |
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 | 6451547 |
| LOTUS | LTS0161991 |
| wikiData | Q82934525 |