(1R,4R,6S,8R,11S)-4,11,12,12-tetramethyl-5-oxatetracyclo[6.3.1.01,6.04,6]dodecane
| Internal ID | 384788c9-5c25-4e2a-9046-5aac2130215c |
| Taxonomy | Organoheterocyclic compounds > Oxanes |
| IUPAC Name | (1R,4R,6S,8R,11S)-4,11,12,12-tetramethyl-5-oxatetracyclo[6.3.1.01,6.04,6]dodecane |
| SMILES (Canonical) | CC1CCC2CC34C1(C2(C)C)CCC3(O4)C |
| SMILES (Isomeric) | C[C@H]1CC[C@@H]2C[C@]34[C@]1(C2(C)C)CC[C@]3(O4)C |
| InChI | InChI=1S/C15H24O/c1-10-5-6-11-9-15-13(4,16-15)7-8-14(10,15)12(11,2)3/h10-11H,5-9H2,1-4H3/t10-,11+,13+,14+,15+/m0/s1 |
| InChI Key | ZIEAVLBEUVSHIU-PWRGDLIESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H24O |
| Molecular Weight | 220.35 g/mol |
| Exact Mass | 220.182715385 g/mol |
| Topological Polar Surface Area (TPSA) | 12.50 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of (1R,4R,6S,8R,11S)-4,11,12,12-tetramethyl-5-oxatetracyclo[6.3.1.01,6.04,6]dodecane](https://plantaedb.com/storage/docs/compounds/2023/11/1r4r6s8r11s-4111212-tetramethyl-5-oxatetracyclo631016046dodecane.jpg "2D Structure of (1R,4R,6S,8R,11S)-4,11,12,12-tetramethyl-5-oxatetracyclo[6.3.1.01,6.04,6]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 |
|---|---|---|---|---|
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 90.75% | 96.38% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 90.42% | 95.38% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.81% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.41% | 97.25% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 87.98% | 89.05% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.67% | 97.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.62% | 97.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.04% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.88% | 91.11% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 82.92% | 98.05% |
| CHEMBL4660 | P28907 | Lymphocyte differentiation antigen CD38 | 80.37% | 95.27% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.36% | 94.75% |
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.
| Cyperus alopecuroides |
| PubChem | 154496526 |
| LOTUS | LTS0067994 |
| wikiData | Q105376274 |