1-[(3aR,5S,7aS)-7a-methyl-5-propan-2-yl-2,3,4,5,6,7-hexahydro-1H-inden-3a-yl]ethanone
| Internal ID | ea77f764-e6a8-4fde-888c-e896a870ff0e |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Ketones |
| IUPAC Name | 1-[(3aR,5S,7aS)-7a-methyl-5-propan-2-yl-2,3,4,5,6,7-hexahydro-1H-inden-3a-yl]ethanone |
| SMILES (Canonical) | CC(C)C1CCC2(CCCC2(C1)C(=O)C)C |
| SMILES (Isomeric) | CC(C)[C@H]1CC[C@@]2(CCC[C@]2(C1)C(=O)C)C |
| InChI | InChI=1S/C15H26O/c1-11(2)13-6-9-14(4)7-5-8-15(14,10-13)12(3)16/h11,13H,5-10H2,1-4H3/t13-,14-,15-/m0/s1 |
| InChI Key | PUQRTRWMWYNMDM-KKUMJFAQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H26O |
| Molecular Weight | 222.37 g/mol |
| Exact Mass | 222.198365449 g/mol |
| Topological Polar Surface Area (TPSA) | 17.10 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of 1-[(3aR,5S,7aS)-7a-methyl-5-propan-2-yl-2,3,4,5,6,7-hexahydro-1H-inden-3a-yl]ethanone](https://plantaedb.com/storage/docs/compounds/2023/11/1-3ar5s7as-7a-methyl-5-propan-2-yl-234567-hexahydro-1h-inden-3a-ylethanone.jpg "2D Structure of 1-[(3aR,5S,7aS)-7a-methyl-5-propan-2-yl-2,3,4,5,6,7-hexahydro-1H-inden-3a-yl]ethanone")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.42% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.73% | 97.25% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 92.46% | 96.38% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.95% | 91.11% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 90.49% | 98.10% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.65% | 91.19% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.52% | 94.45% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.05% | 82.69% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.40% | 93.04% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.90% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.14% | 96.47% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 83.70% | 95.71% |
| CHEMBL268 | P43235 | Cathepsin K | 82.75% | 96.85% |
| CHEMBL236 | P41143 | Delta opioid receptor | 82.69% | 99.35% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.69% | 93.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.96% | 96.77% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.33% | 95.50% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 81.19% | 98.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.05% | 100.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.00% | 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.
| Anthemis aciphylla |
| PubChem | 163012689 |
| LOTUS | LTS0118337 |
| wikiData | Q105215225 |