2-Isopropenyl-6,10-dimethylspiro[4.5]dec-6-en-8-one
| Internal ID | c86be78a-739c-4208-a7b0-36e3b32871c6 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one |
| SMILES (Canonical) | CC1CC(=O)C=C(C12CCC(C2)C(=C)C)C |
| SMILES (Isomeric) | CC1CC(=O)C=C(C12CCC(C2)C(=C)C)C |
| InChI | InChI=1S/C15H22O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7,12-13H,1,5-6,8-9H2,2-4H3 |
| InChI Key | FGCUSSRGQNHZRW-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C15H22O |
| Molecular Weight | 218.33 g/mol |
| Exact Mass | 218.167065321 g/mol |
| Topological Polar Surface Area (TPSA) | 17.10 Ų |
| XlogP | 4.00 |
| SCHEMBL702784 |
| FGCUSSRGQNHZRW-UHFFFAOYSA-N |
| 2-Isopropenyl-6,10-dimethylspiro[4.5]dec-6-en-8-one # |
![2D Structure of 2-Isopropenyl-6,10-dimethylspiro[4.5]dec-6-en-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/2-isopropenyl-610-dimethylspiro45dec-6-en-8-one.jpg "2D Structure of 2-Isopropenyl-6,10-dimethylspiro[4.5]dec-6-en-8-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.60% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.19% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.13% | 97.25% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 89.96% | 86.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.64% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.35% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.39% | 95.56% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 88.13% | 93.04% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.37% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.99% | 89.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.58% | 96.43% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.22% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.34% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.32% | 97.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.07% | 92.94% |
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.
| Hyoscyamus albus |
| Nicotiana tabacum |
| Nicotiana undulata |
| Solanum tuberosum |
| PubChem | 521550 |
| LOTUS | LTS0198744 |
| wikiData | Q104994818 |