2,6,6-Trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-4-one
| Internal ID | b5d0c915-692d-45e5-ae53-c6a78d2fe27d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Cedrane and isocedrane sesquiterpenoids |
| IUPAC Name | 2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H22O/c1-9-5-6-15-8-11(9)14(3,4)13(15)12(16)7-10(15)2/h10-11,13H,1,5-8H2,2-4H3 |
| InChI Key | DAOLNGOJJZRASM-UHFFFAOYSA-N |
| Popularity | 1 reference 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 | 3.20 |
| There are no found synonyms. |
![2D Structure of 2,6,6-Trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/266-trimethyl-8-methylidenetricyclo531015undecan-4-one.jpg "2D Structure of 2,6,6-Trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.01% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.72% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.70% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.21% | 91.11% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 84.48% | 94.78% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.84% | 97.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.27% | 91.49% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 83.26% | 97.05% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.13% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.07% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.33% | 93.40% |
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.
| Juniperus thurifera |
| PubChem | 12308773 |
| LOTUS | LTS0076685 |
| wikiData | Q104973773 |