(1S,2R,5R,6R,8S,12S)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecan-12-ol
| Internal ID | a4581620-f39d-45d4-ac04-5efdbfacc46a |
| Taxonomy | Organoheterocyclic compounds > Oxepanes |
| IUPAC Name | (1S,2R,5R,6R,8S,12S)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecan-12-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H26O2/c1-9-5-6-11-10(9)7-12-13(16)8-15(11,4)17-14(12,2)3/h9-13,16H,5-8H2,1-4H3/t9-,10-,11-,12+,13+,15+/m1/s1 |
| InChI Key | SCYYILSHQOYTTA-CGNPOWQISA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C15H26O2 |
| Molecular Weight | 238.37 g/mol |
| Exact Mass | 238.193280068 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of (1S,2R,5R,6R,8S,12S)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecan-12-ol](https://plantaedb.com/storage/docs/compounds/2023/11/1s2r5r6r8s12s-1599-tetramethyl-10-oxatricyclo622026dodecan-12-ol.jpg "2D Structure of (1S,2R,5R,6R,8S,12S)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecan-12-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.16% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.04% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.04% | 97.09% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 90.74% | 97.64% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.70% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.76% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.57% | 92.94% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 83.49% | 98.46% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.03% | 97.14% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.21% | 95.93% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.17% | 96.43% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.62% | 94.80% |
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.
| Valeriana officinalis |
| PubChem | 12304810 |
| LOTUS | LTS0212010 |
| wikiData | Q105250515 |