6-[2-(3-Hydroxy-2,2-dimethyl-6-methylidenecyclohexyl)ethyl]naphthalene-1,4-dione
| Internal ID | 058256f5-699c-40c7-8412-fd9c00f484cf |
| Taxonomy | Benzenoids > Naphthalenes > Naphthoquinones |
| IUPAC Name | 6-[2-(3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl)ethyl]naphthalene-1,4-dione |
| SMILES (Canonical) | CC1(C(CCC(=C)C1CCC2=CC3=C(C=C2)C(=O)C=CC3=O)O)C |
| SMILES (Isomeric) | CC1(C(CCC(=C)C1CCC2=CC3=C(C=C2)C(=O)C=CC3=O)O)C |
| InChI | InChI=1S/C21H24O3/c1-13-4-11-20(24)21(2,3)17(13)8-6-14-5-7-15-16(12-14)19(23)10-9-18(15)22/h5,7,9-10,12,17,20,24H,1,4,6,8,11H2,2-3H3 |
| InChI Key | JKCAGNYZQGYYHD-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) | 54.40 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of 6-[2-(3-Hydroxy-2,2-dimethyl-6-methylidenecyclohexyl)ethyl]naphthalene-1,4-dione](https://plantaedb.com/storage/docs/compounds/2023/11/6-2-3-hydroxy-22-dimethyl-6-methylidenecyclohexylethylnaphthalene-14-dione.jpg "2D Structure of 6-[2-(3-Hydroxy-2,2-dimethyl-6-methylidenecyclohexyl)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 | 99.14% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.79% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.84% | 91.49% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.95% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.38% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.36% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.55% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.64% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.22% | 97.25% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 85.00% | 85.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.69% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.25% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.20% | 96.95% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.61% | 97.28% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.51% | 90.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.41% | 90.71% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.72% | 93.40% |
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 leucocephala |
| PubChem | 74350274 |
| LOTUS | LTS0084295 |
| wikiData | Q105130124 |