3-Methyl-2-cyclohexen-1-one
| Internal ID | 3b6d94a2-5bc4-413f-96aa-2c9ba15f3319 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones |
| IUPAC Name | 3-methylcyclohex-2-en-1-one |
| SMILES (Canonical) | CC1=CC(=O)CCC1 |
| SMILES (Isomeric) | CC1=CC(=O)CCC1 |
| InChI | InChI=1S/C7H10O/c1-6-3-2-4-7(8)5-6/h5H,2-4H2,1H3 |
| InChI Key | IITQJMYAYSNIMI-UHFFFAOYSA-N |
| Popularity | 200 references in papers |
| Molecular Formula | C7H10O |
| Molecular Weight | 110.15 g/mol |
| Exact Mass | 110.073164938 g/mol |
| Topological Polar Surface Area (TPSA) | 17.10 Ų |
| XlogP | 0.80 |
| 1193-18-6 |
| 3-Methylcyclohex-2-en-1-one |
| 3-Methyl-2-cyclohexenone |
| Seudenone |
| 2-Cyclohexen-1-one, 3-methyl- |
| Methylcyclohexenone |
| FEMA No. 3360 |
| 3-Methyl-2-cyclohexene-1-one |
| 3-methylcyclohex-2-enone |
| MFCD00001581 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.77% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.60% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.94% | 91.11% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.63% | 96.43% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 81.02% | 86.00% |
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.
| Mentha pulegium |
| PubChem | 14511 |
| LOTUS | LTS0123527 |
| wikiData | Q27160291 |