3,4-Dihydroxy-5-oxocyclohexene-1-carboxylic acid
| Internal ID | 3e23c3f8-1982-4d81-b5f7-4af86d44a398 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones |
| IUPAC Name | 3,4-dihydroxy-5-oxocyclohexene-1-carboxylic acid |
| SMILES (Canonical) | C1C(=CC(C(C1=O)O)O)C(=O)O |
| SMILES (Isomeric) | C1C(=CC(C(C1=O)O)O)C(=O)O |
| InChI | InChI=1S/C7H8O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4,6,8,10H,2H2,(H,11,12) |
| InChI Key | XNEFHYFPRJBTJF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C7H8O5 |
| Molecular Weight | 172.13 g/mol |
| Exact Mass | 172.03717335 g/mol |
| Topological Polar Surface Area (TPSA) | 94.80 Ų |
| XlogP | -1.70 |
| 3,4-dihydroxy-5-oxocyclohexene-1-carboxylic acid |
| CHEBI:167871 |
| 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 | 99.52% | 83.82% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.20% | 95.56% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.21% | 93.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.06% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.70% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.69% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.39% | 99.23% |
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.
| Carthamus tinctorius |