4,5,6-Trihydroxy-2-hydroxymethyl-2-cyclohexene-1-one
| Internal ID | c90596fe-86ab-458d-b8da-c74bb931e2a9 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones |
| IUPAC Name | 4,5,6-trihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-one |
| SMILES (Canonical) | C1=C(C(=O)C(C(C1O)O)O)CO |
| SMILES (Isomeric) | C1=C(C(=O)C(C(C1O)O)O)CO |
| InChI | InChI=1S/C7H10O5/c8-2-3-1-4(9)6(11)7(12)5(3)10/h1,4,6-9,11-12H,2H2 |
| InChI Key | DEJZWTDEKQRWLD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C7H10O5 |
| Molecular Weight | 174.15 g/mol |
| Exact Mass | 174.05282342 g/mol |
| Topological Polar Surface Area (TPSA) | 98.00 Ų |
| XlogP | -2.10 |
| 4,5,6-Trihydroxy-2-hydroxymethyl-2-cyclohexene-1-one |
| SCHEMBL16431077 |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.48% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.93% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.85% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.31% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.03% | 95.56% |
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.
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| There are no matching plants. |
| PubChem | 13245310 |
| LOTUS | LTS0121944 |
| wikiData | Q103818310 |