(1S,2R,5R,6R,7S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-7-ol
| Internal ID | e59f5610-9f6b-43ab-a5c0-a43df60aaa91 |
| Taxonomy | Organoheterocyclic compounds > Tetrahydrofurans |
| IUPAC Name | (1S,2R,5R,6R,7S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-7-ol |
| SMILES (Canonical) | CC1CCC2C13CC(CC(C2C)O)C(O3)(C)C |
| SMILES (Isomeric) | C[C@@H]1CC[C@H]2[C@]13C[C@@H](C[C@@H]([C@@H]2C)O)C(O3)(C)C |
| InChI | InChI=1S/C15H26O2/c1-9-5-6-12-10(2)13(16)7-11-8-15(9,12)17-14(11,3)4/h9-13,16H,5-8H2,1-4H3/t9-,10-,11-,12-,13+,15+/m1/s1 |
| InChI Key | YEHOSOZZRKVZEO-BQVODAHPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H26O2 |
| Molecular Weight | 238.37 g/mol |
| Exact Mass | 238.193280068 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of (1S,2R,5R,6R,7S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-7-ol](https://plantaedb.com/storage/docs/compounds/2023/11/1s2r5r6r7s9r-261010-tetramethyl-11-oxatricyclo721015dodecan-7-ol.jpg "2D Structure of (1S,2R,5R,6R,7S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-7-ol")
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.38% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.36% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.14% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.54% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.59% | 83.82% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 85.96% | 97.79% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 84.68% | 97.64% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.96% | 97.25% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 83.81% | 96.61% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.81% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.97% | 92.94% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 82.79% | 95.38% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.67% | 97.14% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.36% | 95.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.32% | 89.00% |
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.
| Ligularia veitchiana |
| PubChem | 15922921 |
| LOTUS | LTS0068865 |
| wikiData | Q105347241 |