(3S,4R)-3-(3,4-dihydroxyphenyl)-4-hydroxycyclohexan-1-one
| Internal ID | 8c4aecdb-a141-4391-aeef-295f0315c48e |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Cyclohexylphenols |
| IUPAC Name | (3S,4R)-3-(3,4-dihydroxyphenyl)-4-hydroxycyclohexan-1-one |
| SMILES (Canonical) | C1CC(=O)CC(C1O)C2=CC(=C(C=C2)O)O |
| SMILES (Isomeric) | C1CC(=O)C[C@H]([C@@H]1O)C2=CC(=C(C=C2)O)O |
| InChI | InChI=1S/C12H14O4/c13-8-2-4-10(14)9(6-8)7-1-3-11(15)12(16)5-7/h1,3,5,9-10,14-16H,2,4,6H2/t9-,10+/m0/s1 |
| InChI Key | MKIQLENCKKWIHW-VHSXEESVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C12H14O4 |
| Molecular Weight | 222.24 g/mol |
| Exact Mass | 222.08920892 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 0.50 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.00% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.98% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.46% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.76% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.82% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.00% | 93.40% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.10% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.21% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.27% | 89.00% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 83.90% | 85.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.40% | 95.89% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.68% | 99.15% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.84% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.79% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.73% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.07% | 90.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.70% | 92.94% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 80.31% | 96.12% |
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.
| Senegalia polyacantha |
| PubChem | 162942286 |
| LOTUS | LTS0006646 |
| wikiData | Q105166014 |