(4R)-4-methyl-1,2,3,4-tetrahydrobenzo[7]annulen-6-one
| Internal ID | 6eeb0c91-8c08-4c75-a01c-19e8f3b49ea2 |
| Taxonomy | Hydrocarbon derivatives > Tropones |
| IUPAC Name | (4R)-4-methyl-1,2,3,4-tetrahydrobenzo[7]annulen-6-one |
| SMILES (Canonical) | CC1CCCC2=CC=CC(=O)C=C12 |
| SMILES (Isomeric) | C[C@@H]1CCCC2=CC=CC(=O)C=C12 |
| InChI | InChI=1S/C12H14O/c1-9-4-2-5-10-6-3-7-11(13)8-12(9)10/h3,6-9H,2,4-5H2,1H3/t9-/m1/s1 |
| InChI Key | PTSMDILTYWXXSJ-SECBINFHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C12H14O |
| Molecular Weight | 174.24 g/mol |
| Exact Mass | 174.104465066 g/mol |
| Topological Polar Surface Area (TPSA) | 17.10 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of (4R)-4-methyl-1,2,3,4-tetrahydrobenzo[7]annulen-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/4r-4-methyl-1234-tetrahydrobenzo7annulen-6-one.jpg "2D Structure of (4R)-4-methyl-1,2,3,4-tetrahydrobenzo[7]annulen-6-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.39% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.00% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.00% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.74% | 97.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.23% | 91.49% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 88.55% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.90% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.72% | 86.33% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 87.40% | 99.18% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.39% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.54% | 100.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.33% | 93.99% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.51% | 93.03% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 82.07% | 97.05% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 81.80% | 100.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 80.45% | 95.62% |
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.
| Grindelia hirsutula |
| PubChem | 163005398 |
| LOTUS | LTS0036021 |
| wikiData | Q105214870 |