2-[2-(3,6-Dioxo-4-propan-2-ylcyclohexa-1,4-dien-1-yl)-2,6,6-trimethylcyclohexyl]acetic acid
| Internal ID | 05c65a28-a818-4665-a836-594f4c73cc42 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Quinone and hydroquinone lipids > Prenylquinones |
| IUPAC Name | 2-[2-(3,6-dioxo-4-propan-2-ylcyclohexa-1,4-dien-1-yl)-2,6,6-trimethylcyclohexyl]acetic acid |
| SMILES (Canonical) | CC(C)C1=CC(=O)C(=CC1=O)C2(CCCC(C2CC(=O)O)(C)C)C |
| SMILES (Isomeric) | CC(C)C1=CC(=O)C(=CC1=O)C2(CCCC(C2CC(=O)O)(C)C)C |
| InChI | InChI=1S/C20H28O4/c1-12(2)13-9-16(22)14(10-15(13)21)20(5)8-6-7-19(3,4)17(20)11-18(23)24/h9-10,12,17H,6-8,11H2,1-5H3,(H,23,24) |
| InChI Key | RXKYDRDAPCHXPT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H28O4 |
| Molecular Weight | 332.40 g/mol |
| Exact Mass | 332.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 71.40 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of 2-[2-(3,6-Dioxo-4-propan-2-ylcyclohexa-1,4-dien-1-yl)-2,6,6-trimethylcyclohexyl]acetic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2-2-36-dioxo-4-propan-2-ylcyclohexa-14-dien-1-yl-266-trimethylcyclohexylacetic-acid.jpg "2D Structure of 2-[2-(3,6-Dioxo-4-propan-2-ylcyclohexa-1,4-dien-1-yl)-2,6,6-trimethylcyclohexyl]acetic acid")
| 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 | 97.62% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.59% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.43% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.83% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.53% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.49% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.29% | 90.17% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.69% | 96.77% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.31% | 90.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.80% | 100.00% |
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.
| Cryptomeria japonica |
| PubChem | 163050142 |
| LOTUS | LTS0239234 |
| wikiData | Q105247112 |