(8aR)-2,2,4-trimethyl-6,8a-di(propan-2-yl)-8,9-dihydrocyclopenta[g]quinolin-7-one
| Internal ID | 67a52679-b8a6-4598-9409-7d73191b329d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (8aR)-2,2,4-trimethyl-6,8a-di(propan-2-yl)-8,9-dihydrocyclopenta[g]quinolin-7-one |
| SMILES (Canonical) | CC1=CC(N=C2C1=CC3=C(C(=O)CC3(C2)C(C)C)C(C)C)(C)C |
| SMILES (Isomeric) | CC1=CC(N=C2C1=CC3=C(C(=O)C[C@]3(C2)C(C)C)C(C)C)(C)C |
| InChI | InChI=1S/C21H29NO/c1-12(2)19-16-8-15-14(5)9-20(6,7)22-17(15)10-21(16,13(3)4)11-18(19)23/h8-9,12-13H,10-11H2,1-7H3/t21-/m1/s1 |
| InChI Key | ODJKLTMZWLSOQR-OAQYLSRUSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H29NO |
| Molecular Weight | 311.50 g/mol |
| Exact Mass | 311.224914549 g/mol |
| Topological Polar Surface Area (TPSA) | 29.40 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of (8aR)-2,2,4-trimethyl-6,8a-di(propan-2-yl)-8,9-dihydrocyclopenta[g]quinolin-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/8ar-224-trimethyl-68a-dipropan-2-yl-89-dihydrocyclopentagquinolin-7-one.jpg "2D Structure of (8aR)-2,2,4-trimethyl-6,8a-di(propan-2-yl)-8,9-dihydrocyclopenta[g]quinolin-7-one")
| 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 |
|---|---|---|---|---|
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 95.08% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.37% | 95.56% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 89.68% | 90.24% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.27% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.97% | 94.45% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 87.07% | 90.08% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.88% | 91.11% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 84.83% | 85.30% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.23% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.09% | 90.00% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 82.91% | 88.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.67% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.49% | 99.23% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.19% | 96.77% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 90670767 |
| LOTUS | LTS0207489 |
| wikiData | Q105189873 |