CID 6451544
| Internal ID | 1b83f821-32f9-4707-bc75-dc7a52375dd6 |
| Taxonomy | Organoheterocyclic compounds > Oxepanes |
| IUPAC Name | (1S,2S,5S,6S,8S)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane |
| SMILES (Canonical) | CC1CCC2C1CC3CCC2(OC3(C)C)C |
| SMILES (Isomeric) | C[C@H]1CC[C@H]2[C@H]1C[C@@H]3CC[C@@]2(OC3(C)C)C |
| InChI | InChI=1S/C15H26O/c1-10-5-6-13-12(10)9-11-7-8-15(13,4)16-14(11,2)3/h10-13H,5-9H2,1-4H3/t10-,11-,12-,13-,15-/m0/s1 |
| InChI Key | QRVMFXFSGYDNJI-CXOVXGEYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H26O |
| Molecular Weight | 222.37 g/mol |
| Exact Mass | 222.198365449 g/mol |
| Topological Polar Surface Area (TPSA) | 9.20 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 93.35% | 94.80% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.76% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.90% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.38% | 97.25% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 86.65% | 97.31% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.41% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.82% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.64% | 92.94% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.51% | 90.17% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.05% | 96.38% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.87% | 97.14% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 80.76% | 83.82% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 80.27% | 98.46% |
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.
| Acacia nuperrima |
| Croton stelluliferus |
| Heracleum dissectum |
| Olearia phlogopappa |
| Valeriana jatamansi |
| Valeriana officinalis |
| PubChem | 6451544 |
| LOTUS | LTS0258624 |
| wikiData | Q83058273 |