6-[2-(1,2,6-Trimethyl-3-oxocyclohexyl)ethyl]naphthalene-1,4-dione
| Internal ID | 7c9d5275-86c9-4239-9115-c70dd2087b85 |
| Taxonomy | Benzenoids > Naphthalenes > Naphthoquinones |
| IUPAC Name | 6-[2-(1,2,6-trimethyl-3-oxocyclohexyl)ethyl]naphthalene-1,4-dione |
| SMILES (Canonical) | CC1CCC(=O)C(C1(C)CCC2=CC3=C(C=C2)C(=O)C=CC3=O)C |
| SMILES (Isomeric) | CC1CCC(=O)C(C1(C)CCC2=CC3=C(C=C2)C(=O)C=CC3=O)C |
| InChI | InChI=1S/C21H24O3/c1-13-4-7-18(22)14(2)21(13,3)11-10-15-5-6-16-17(12-15)20(24)9-8-19(16)23/h5-6,8-9,12-14H,4,7,10-11H2,1-3H3 |
| InChI Key | MASRYVQKFOORHS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H24O3 |
| Molecular Weight | 324.40 g/mol |
| Exact Mass | 324.17254462 g/mol |
| Topological Polar Surface Area (TPSA) | 51.20 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of 6-[2-(1,2,6-Trimethyl-3-oxocyclohexyl)ethyl]naphthalene-1,4-dione](https://plantaedb.com/storage/docs/compounds/2023/11/6-2-126-trimethyl-3-oxocyclohexylethylnaphthalene-14-dione.jpg "2D Structure of 6-[2-(1,2,6-Trimethyl-3-oxocyclohexyl)ethyl]naphthalene-1,4-dione")
| 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 | 98.95% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.67% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.30% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.49% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.37% | 97.09% |
| CHEMBL2000 | P03952 | Plasma kallikrein | 88.01% | 93.92% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.19% | 95.56% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 86.94% | 97.05% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.52% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.50% | 95.89% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.44% | 93.40% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.30% | 83.82% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.09% | 90.00% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 83.32% | 96.67% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 82.80% | 85.11% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 82.63% | 99.18% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.99% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.17% | 90.71% |
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.
| Varronia curassavica |
| Varronia linnaei |
| Varronia polycephala |
| PubChem | 14635650 |
| LOTUS | LTS0097120 |
| wikiData | Q105160495 |