5,5,8a-Trimethyl-2'-propan-2-ylspiro[3,4,4a,6,7,8-hexahydronaphthalene-1,4'-cyclopent-2-ene]-1',2-dione
| Internal ID | 2a15aec7-a55a-44cb-81ee-28a81db3896d |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones |
| IUPAC Name | 5,5,8a-trimethyl-2'-propan-2-ylspiro[3,4,4a,6,7,8-hexahydronaphthalene-1,4'-cyclopent-2-ene]-1',2-dione |
| SMILES (Canonical) | CC(C)C1=CC2(CC1=O)C(=O)CCC3C2(CCCC3(C)C)C |
| SMILES (Isomeric) | CC(C)C1=CC2(CC1=O)C(=O)CCC3C2(CCCC3(C)C)C |
| InChI | InChI=1S/C20H30O2/c1-13(2)14-11-20(12-15(14)21)17(22)8-7-16-18(3,4)9-6-10-19(16,20)5/h11,13,16H,6-10,12H2,1-5H3 |
| InChI Key | SXAMVLLELNWDFC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O2 |
| Molecular Weight | 302.50 g/mol |
| Exact Mass | 302.224580195 g/mol |
| Topological Polar Surface Area (TPSA) | 34.10 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of 5,5,8a-Trimethyl-2'-propan-2-ylspiro[3,4,4a,6,7,8-hexahydronaphthalene-1,4'-cyclopent-2-ene]-1',2-dione](https://plantaedb.com/storage/docs/compounds/2023/11/12b64700-8548-11ee-a728-9dd6a176368d.jpg "2D Structure of 5,5,8a-Trimethyl-2'-propan-2-ylspiro[3,4,4a,6,7,8-hexahydronaphthalene-1,4'-cyclopent-2-ene]-1',2-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.18% | 97.25% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 96.33% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.47% | 98.95% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.28% | 82.69% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 91.40% | 93.04% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.67% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.34% | 95.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.23% | 96.77% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.66% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.56% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.54% | 90.71% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.50% | 93.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.40% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.38% | 90.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.21% | 99.23% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.08% | 93.40% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.77% | 94.45% |
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.
| Chamaecyparis obtusa |
| PubChem | 72820357 |
| LOTUS | LTS0136990 |
| wikiData | Q105263011 |