1a-Methyl-7-propan-2-yl-2,3,5,6,7,7b-hexahydronaphtho[1,2-b]oxiren-4-one
| Internal ID | efe0e877-b172-4040-9a24-0d578e94975d |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones |
| IUPAC Name | 1a-methyl-7-propan-2-yl-2,3,5,6,7,7b-hexahydronaphtho[1,2-b]oxiren-4-one |
| SMILES (Canonical) | CC(C)C1CCC(=O)C2=C1C3C(O3)(CC2)C |
| SMILES (Isomeric) | CC(C)C1CCC(=O)C2=C1C3C(O3)(CC2)C |
| InChI | InChI=1S/C14H20O2/c1-8(2)9-4-5-11(15)10-6-7-14(3)13(16-14)12(9)10/h8-9,13H,4-7H2,1-3H3 |
| InChI Key | XUPOXAWUFYMMTR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H20O2 |
| Molecular Weight | 220.31 g/mol |
| Exact Mass | 220.146329876 g/mol |
| Topological Polar Surface Area (TPSA) | 29.60 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of 1a-Methyl-7-propan-2-yl-2,3,5,6,7,7b-hexahydronaphtho[1,2-b]oxiren-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/1a-methyl-7-propan-2-yl-235677b-hexahydronaphtho12-boxiren-4-one.jpg "2D Structure of 1a-Methyl-7-propan-2-yl-2,3,5,6,7,7b-hexahydronaphtho[1,2-b]oxiren-4-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 |
|---|---|---|---|---|
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 90.75% | 96.38% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.33% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.27% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.70% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.14% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.78% | 96.09% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.77% | 93.04% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.96% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.48% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.57% | 95.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.09% | 97.14% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 81.82% | 98.10% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.70% | 97.25% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.63% | 96.43% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.29% | 90.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.75% | 99.23% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.61% | 93.40% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.17% | 90.08% |
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.
| Alpinia oxyphylla |
| PubChem | 74976278 |
| LOTUS | LTS0209619 |
| wikiData | Q105342502 |