1,1-Dihydroxypropan-2-one
| Internal ID | c5bd3d3e-e697-42b4-aa0f-4112e33c888d |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Ketones > Alpha-hydroxy ketones |
| IUPAC Name | 1,1-dihydroxypropan-2-one |
| SMILES (Canonical) | CC(=O)C(O)O |
| SMILES (Isomeric) | CC(=O)C(O)O |
| InChI | InChI=1S/C3H6O3/c1-2(4)3(5)6/h3,5-6H,1H3 |
| InChI Key | UOQFZGVGGMHGEE-UHFFFAOYSA-N |
| Popularity | 486 references in papers |
| Molecular Formula | C3H6O3 |
| Molecular Weight | 90.08 g/mol |
| Exact Mass | 90.031694049 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | -1.30 |
| 1186-47-6 |
| METHYLGLYOXAL HYDRATE |
| 1,1-dihydroxyacetone |
| dioxyaceton |
| UOQFZGVGGMHGEE-UHFFFAOYSA-N |
| AMY25827 |
| AKOS015995422 |
| 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 | 89.69% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.93% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.11% | 85.14% |
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.
| Catharanthus roseus |
| Vigna radiata |
| PubChem | 13180982 |
| LOTUS | LTS0145601 |
| wikiData | Q105276520 |