[(1S,4R,9R)-2,2,9-trimethyl-12-oxatricyclo[7.2.1.01,4]dodeca-5,7-dien-5-yl]methanol
| Internal ID | 3699794e-4bf1-4a96-97be-4900609f3715 |
| Taxonomy | Organoheterocyclic compounds > Tetrahydrofurans |
| IUPAC Name | [(1S,4R,9R)-2,2,9-trimethyl-12-oxatricyclo[7.2.1.01,4]dodeca-5,7-dien-5-yl]methanol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H22O2/c1-13(2)9-12-11(10-16)5-4-6-14(3)7-8-15(12,13)17-14/h4-6,12,16H,7-10H2,1-3H3/t12-,14+,15+/m1/s1 |
| InChI Key | RWVYJGDLHSWPSM-SNPRPXQTSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C15H22O2 |
| Molecular Weight | 234.33 g/mol |
| Exact Mass | 234.161979940 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of [(1S,4R,9R)-2,2,9-trimethyl-12-oxatricyclo[7.2.1.01,4]dodeca-5,7-dien-5-yl]methanol](https://plantaedb.com/storage/docs/compounds/2023/11/1s4r9r-229-trimethyl-12-oxatricyclo721014dodeca-57-dien-5-ylmethanol.jpg "2D Structure of [(1S,4R,9R)-2,2,9-trimethyl-12-oxatricyclo[7.2.1.01,4]dodeca-5,7-dien-5-yl]methanol")
| 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 | 96.90% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.51% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.52% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.93% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.99% | 94.75% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.27% | 95.93% |
| CHEMBL233 | P35372 | Mu opioid receptor | 83.60% | 97.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.79% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.30% | 95.56% |
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.
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| There are no matching plants. |
| PubChem | 162941070 |
| LOTUS | LTS0187370 |
| wikiData | Q105246799 |