6-Benzylimino-2-hydroxy-2,5-dimethylcyclohex-4-ene-1,3-dione
| Internal ID | 0157b3fb-4080-4dc4-9211-81a00d5c301f |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Benzoquinones > M-benzoquinones |
| IUPAC Name | 6-benzylimino-2-hydroxy-2,5-dimethylcyclohex-4-ene-1,3-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H15NO3/c1-10-8-12(17)15(2,19)14(18)13(10)16-9-11-6-4-3-5-7-11/h3-8,19H,9H2,1-2H3 |
| InChI Key | HRXAUDACLOQULD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H15NO3 |
| Molecular Weight | 257.28 g/mol |
| Exact Mass | 257.10519334 g/mol |
| Topological Polar Surface Area (TPSA) | 66.70 Ų |
| XlogP | 1.30 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.45% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.75% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.79% | 85.14% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.86% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.83% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.19% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.44% | 96.09% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.60% | 95.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.45% | 98.75% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 80.04% | 94.62% |
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 | 162994739 |
| LOTUS | LTS0183312 |
| wikiData | Q104168337 |