1-[2-(6-Hydroxy-2-methylcyclohexen-1-yl)oxy-5-methoxyphenyl]ethanone
| Internal ID | 52dc88ca-59d2-426a-81eb-5f6133fd3cb4 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones |
| IUPAC Name | 1-[2-(6-hydroxy-2-methylcyclohexen-1-yl)oxy-5-methoxyphenyl]ethanone |
| SMILES (Canonical) | CC1=C(C(CCC1)O)OC2=C(C=C(C=C2)OC)C(=O)C |
| SMILES (Isomeric) | CC1=C(C(CCC1)O)OC2=C(C=C(C=C2)OC)C(=O)C |
| InChI | InChI=1S/C16H20O4/c1-10-5-4-6-14(18)16(10)20-15-8-7-12(19-3)9-13(15)11(2)17/h7-9,14,18H,4-6H2,1-3H3 |
| InChI Key | WPMGKQSADZRFIX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H20O4 |
| Molecular Weight | 276.33 g/mol |
| Exact Mass | 276.13615911 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of 1-[2-(6-Hydroxy-2-methylcyclohexen-1-yl)oxy-5-methoxyphenyl]ethanone](https://plantaedb.com/storage/docs/compounds/2023/11/1-2-6-hydroxy-2-methylcyclohexen-1-yloxy-5-methoxyphenylethanone.jpg "2D Structure of 1-[2-(6-Hydroxy-2-methylcyclohexen-1-yl)oxy-5-methoxyphenyl]ethanone")
| 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 | 96.35% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.64% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.14% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.86% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.61% | 98.75% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.33% | 91.49% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.21% | 94.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.07% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.37% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.60% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.07% | 91.19% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.19% | 91.07% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.86% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.80% | 99.15% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.19% | 90.71% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.40% | 95.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.32% | 97.09% |
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 | 163077594 |
| LOTUS | LTS0196697 |
| wikiData | Q105310032 |