(1R,4S,7R,11R,12S)-3,3,7,11-tetramethyl-2-oxatricyclo[5.4.1.04,12]dodecane
| Internal ID | 20a01203-07e7-43f8-be5f-1062fc09d326 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Germacrane sesquiterpenoids |
| IUPAC Name | (1R,4S,7R,11R,12S)-3,3,7,11-tetramethyl-2-oxatricyclo[5.4.1.04,12]dodecane |
| SMILES (Canonical) | CC1CCCC2(CCC3C2C1OC3(C)C)C |
| SMILES (Isomeric) | C[C@@H]1CCC[C@@]2(CC[C@H]3[C@@H]2[C@@H]1OC3(C)C)C |
| InChI | InChI=1S/C15H26O/c1-10-6-5-8-15(4)9-7-11-12(15)13(10)16-14(11,2)3/h10-13H,5-9H2,1-4H3/t10-,11+,12-,13-,15-/m1/s1 |
| InChI Key | GAZOZLXFXCZLCJ-WPLOAARJSA-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) | 9.20 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of (1R,4S,7R,11R,12S)-3,3,7,11-tetramethyl-2-oxatricyclo[5.4.1.04,12]dodecane](https://plantaedb.com/storage/docs/compounds/2023/11/1r4s7r11r12s-33711-tetramethyl-2-oxatricyclo5410412dodecane.jpg "2D Structure of (1R,4S,7R,11R,12S)-3,3,7,11-tetramethyl-2-oxatricyclo[5.4.1.04,12]dodecane")
| 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 | 96.17% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.49% | 97.09% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 88.73% | 95.38% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.57% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.04% | 92.94% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.78% | 96.61% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 87.35% | 99.18% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.42% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.49% | 95.50% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 83.71% | 96.38% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 81.80% | 98.10% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.76% | 91.11% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 80.26% | 99.29% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.19% | 93.56% |
| CHEMBL3920 | Q04759 | Protein kinase C theta | 80.04% | 97.69% |
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.
| Potamogeton natans |
| Saccobasis polita |
| Sciadopitys verticillata |
| PubChem | 637331 |
| LOTUS | LTS0170671 |
| wikiData | Q105178034 |