(1R,3R,6S,7S,8S,10S)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecane-3,10-diol
| Internal ID | ed64c7ef-b5e2-4ee2-96ae-d81cce25f246 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Tertiary alcohols |
| IUPAC Name | (1R,3R,6S,7S,8S,10S)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecane-3,10-diol |
| SMILES (Canonical) | CC1CCC2(C(C3CC1C2(CC3O)C)(C)C)O |
| SMILES (Isomeric) | C[C@H]1CC[C@@]2([C@@]3([C@H]1C[C@H](C2(C)C)[C@H](C3)O)C)O |
| InChI | InChI=1S/C15H26O2/c1-9-5-6-15(17)13(2,3)11-7-10(9)14(15,4)8-12(11)16/h9-12,16-17H,5-8H2,1-4H3/t9-,10-,11-,12-,14-,15+/m0/s1 |
| InChI Key | WKGPQOAMUAIBRO-KPRRGPHJSA-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) | 40.50 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of (1R,3R,6S,7S,8S,10S)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecane-3,10-diol](https://plantaedb.com/storage/docs/compounds/2023/11/1r3r6s7s8s10s-2268-tetramethyltricyclo531038undecane-310-diol.jpg "2D Structure of (1R,3R,6S,7S,8S,10S)-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecane-3,10-diol")
| 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 | 98.48% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.10% | 96.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 93.63% | 82.69% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 91.02% | 96.61% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.34% | 95.93% |
| CHEMBL4660 | P28907 | Lymphocyte differentiation antigen CD38 | 88.92% | 95.27% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 88.69% | 97.64% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.50% | 100.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 87.75% | 91.03% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.46% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.44% | 97.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.46% | 92.94% |
| CHEMBL238 | Q01959 | Dopamine transporter | 85.20% | 95.88% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 84.43% | 95.38% |
| CHEMBL1871 | P10275 | Androgen Receptor | 83.95% | 96.43% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 83.68% | 97.31% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.36% | 95.89% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.24% | 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.
| Pogostemon cablin |
| Valeriana jatamansi |
| PubChem | 25082523 |
| LOTUS | LTS0134807 |
| wikiData | Q105307326 |