(1S,2S,5S,8S)-1,4,4,8-tetramethyl-12-oxatricyclo[6.3.1.02,5]dodecane
| Internal ID | 8d03e3e7-c1b3-4dd6-aa02-b7d90918a84d |
| Taxonomy | Organoheterocyclic compounds > Oxepanes |
| IUPAC Name | (1S,2S,5S,8S)-1,4,4,8-tetramethyl-12-oxatricyclo[6.3.1.02,5]dodecane |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H26O/c1-13(2)10-12-11(13)6-9-14(3)7-5-8-15(12,4)16-14/h11-12H,5-10H2,1-4H3/t11-,12-,14-,15-/m0/s1 |
| InChI Key | FMRYSKILCWLXDC-JURCDPSOSA-N |
| Popularity | 2 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 | 3.70 |
| There are no found synonyms. |
![2D Structure of (1S,2S,5S,8S)-1,4,4,8-tetramethyl-12-oxatricyclo[6.3.1.02,5]dodecane](https://plantaedb.com/storage/docs/compounds/2023/11/1s2s5s8s-1448-tetramethyl-12-oxatricyclo631025dodecane.jpg "2D Structure of (1S,2S,5S,8S)-1,4,4,8-tetramethyl-12-oxatricyclo[6.3.1.02,5]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 | 95.02% | 97.25% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.09% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.85% | 96.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.02% | 96.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.79% | 97.09% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.73% | 95.50% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.51% | 92.94% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.67% | 100.00% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 83.65% | 95.38% |
| CHEMBL5600 | P27448 | Serine/threonine-protein kinase c-TAK1 | 83.12% | 88.81% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 82.61% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.27% | 91.11% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 82.23% | 99.18% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.37% | 82.69% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.32% | 96.21% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 80.55% | 98.10% |
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.
| Aloysia citrodora |
| PubChem | 162910564 |
| LOTUS | LTS0098275 |
| wikiData | Q104998010 |