(1R,5R,8R,9R)-1-(hydroxymethyl)-4,4,8-trimethyl-12-oxatricyclo[6.3.1.02,5]dodecan-9-ol
| Internal ID | 9afbd28b-db9b-499f-bd7a-aa9889499bf0 |
| Taxonomy | Organoheterocyclic compounds > Oxepanes |
| IUPAC Name | (1R,5R,8R,9R)-1-(hydroxymethyl)-4,4,8-trimethyl-12-oxatricyclo[6.3.1.02,5]dodecan-9-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H26O3/c1-13(2)8-11-10(13)4-6-14(3)12(17)5-7-15(11,9-16)18-14/h10-12,16-17H,4-9H2,1-3H3/t10-,11?,12-,14-,15+/m1/s1 |
| InChI Key | HDEDHTVUKLACPT-CMUJWSKESA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H26O3 |
| Molecular Weight | 254.36 g/mol |
| Exact Mass | 254.18819469 g/mol |
| Topological Polar Surface Area (TPSA) | 49.70 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of (1R,5R,8R,9R)-1-(hydroxymethyl)-4,4,8-trimethyl-12-oxatricyclo[6.3.1.02,5]dodecan-9-ol](https://plantaedb.com/storage/docs/compounds/2023/11/1r5r8r9r-1-hydroxymethyl-448-trimethyl-12-oxatricyclo631025dodecan-9-ol.jpg "2D Structure of (1R,5R,8R,9R)-1-(hydroxymethyl)-4,4,8-trimethyl-12-oxatricyclo[6.3.1.02,5]dodecan-9-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.51% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.37% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.07% | 97.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 89.71% | 96.61% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.67% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.92% | 90.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.85% | 100.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 86.33% | 95.93% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 84.38% | 89.05% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.27% | 95.50% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 84.18% | 98.03% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.39% | 96.95% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.89% | 97.79% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.84% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.76% | 85.14% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.49% | 96.43% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.05% | 95.38% |
| CHEMBL204 | P00734 | Thrombin | 80.04% | 96.01% |
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 longus |
| PubChem | 44566706 |
| LOTUS | LTS0177100 |
| wikiData | Q105026286 |