(1S,3S,4S,6R,7R,8R)-6-(hydroxymethyl)-2,2,8-trimethyltricyclo[5.3.1.03,8]undecane-3,4-diol
| Internal ID | e28844ab-003c-4742-920f-5602f1854c9a |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Tertiary alcohols |
| IUPAC Name | (1S,3S,4S,6R,7R,8R)-6-(hydroxymethyl)-2,2,8-trimethyltricyclo[5.3.1.03,8]undecane-3,4-diol |
| SMILES (Canonical) | CC1(C2CCC3(C1(C(CC(C3C2)CO)O)O)C)C |
| SMILES (Isomeric) | C[C@@]12CC[C@H]3C[C@@H]1[C@@H](C[C@@H]([C@@]2(C3(C)C)O)O)CO |
| InChI | InChI=1S/C15H26O3/c1-13(2)10-4-5-14(3)11(7-10)9(8-16)6-12(17)15(13,14)18/h9-12,16-18H,4-8H2,1-3H3/t9-,10-,11+,12-,14+,15-/m0/s1 |
| InChI Key | FGEXETWSWXPAIN-HJFKDUGFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H26O3 |
| Molecular Weight | 254.36 g/mol |
| Exact Mass | 254.18819469 g/mol |
| Topological Polar Surface Area (TPSA) | 60.70 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of (1S,3S,4S,6R,7R,8R)-6-(hydroxymethyl)-2,2,8-trimethyltricyclo[5.3.1.03,8]undecane-3,4-diol](https://plantaedb.com/storage/docs/compounds/2023/11/1s3s4s6r7r8r-6-hydroxymethyl-228-trimethyltricyclo531038undecane-34-diol.jpg "2D Structure of (1S,3S,4S,6R,7R,8R)-6-(hydroxymethyl)-2,2,8-trimethyltricyclo[5.3.1.03,8]undecane-3,4-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.61% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.51% | 97.25% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 94.75% | 95.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.35% | 97.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 91.53% | 96.61% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 89.74% | 97.79% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.61% | 100.00% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 86.16% | 97.64% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.51% | 95.50% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.63% | 82.69% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.08% | 92.94% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.36% | 91.11% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 81.37% | 98.03% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.21% | 96.43% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.76% | 90.17% |
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 |
| PubChem | 162921643 |
| LOTUS | LTS0208745 |
| wikiData | Q104994861 |