3-(Hydroxymethyl)-1,3-dimethyl-2-oxabicyclo[2.2.2]octan-6-ol
| Internal ID | 36391538-e69a-4aa1-90fd-97d08eb5b6d3 |
| Taxonomy | Organoheterocyclic compounds > Oxanes |
| IUPAC Name | 3-(hydroxymethyl)-1,3-dimethyl-2-oxabicyclo[2.2.2]octan-6-ol |
| SMILES (Canonical) | CC12CCC(CC1O)C(O2)(C)CO |
| SMILES (Isomeric) | CC12CCC(CC1O)C(O2)(C)CO |
| InChI | InChI=1S/C10H18O3/c1-9-4-3-7(5-8(9)12)10(2,6-11)13-9/h7-8,11-12H,3-6H2,1-2H3 |
| InChI Key | YBBFHZOLGNSKEP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C10H18O3 |
| Molecular Weight | 186.25 g/mol |
| Exact Mass | 186.125594432 g/mol |
| Topological Polar Surface Area (TPSA) | 49.70 Ų |
| XlogP | 0.20 |
| There are no found synonyms. |
![2D Structure of 3-(Hydroxymethyl)-1,3-dimethyl-2-oxabicyclo[2.2.2]octan-6-ol](https://plantaedb.com/storage/docs/compounds/2023/11/3-hydroxymethyl-13-dimethyl-2-oxabicyclo222octan-6-ol.jpg "2D Structure of 3-(Hydroxymethyl)-1,3-dimethyl-2-oxabicyclo[2.2.2]octan-6-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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.11% | 83.82% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.18% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.62% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.77% | 97.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.94% | 97.79% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.80% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.21% | 95.93% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.35% | 96.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.74% | 100.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 83.27% | 98.03% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 82.24% | 96.61% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.66% | 95.50% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 81.63% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.53% | 90.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.80% | 95.89% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.61% | 95.38% |
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.
| Solanum nigrum |
| PubChem | 130144898 |
| LOTUS | LTS0130304 |
| wikiData | Q105186001 |