Brevicomin
| Internal ID | ab0cb434-0e2f-4727-bebd-f02f4ae9c559 |
| Taxonomy | Organoheterocyclic compounds > Oxepanes |
| IUPAC Name | (1R,5S,7R)-7-ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]octane |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C9H16O2/c1-3-7-8-5-4-6-9(2,10-7)11-8/h7-8H,3-6H2,1-2H3/t7-,8-,9+/m1/s1 |
| InChI Key | YONXEBYXWVCXIV-HLTSFMKQSA-N |
| Popularity | 246 references in papers |
| Molecular Formula | C9H16O2 |
| Molecular Weight | 156.22 g/mol |
| Exact Mass | 156.115029749 g/mol |
| Topological Polar Surface Area (TPSA) | 18.50 Ų |
| XlogP | 1.90 |
| Brevicomin |
| 20290-99-7 |
| KPU1SW45CD |
| (1R,5S,7R)-7-ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]octane |
| 7-Ethyl-5-methyl-6,8-dioxabicyclo(3.2.1)octane |
| 6,8-Dioxabicyclo(3.2.1)octane, 7-ethyl-5-methyl-, (1R,5S,7R)- |
| (?)-Exobrevicomin |
| (+)-exo-Brevicomin |
| (?)-exo-Brevicomin |
| UNII-KPU1SW45CD |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 97.97% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.90% | 96.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 93.25% | 96.61% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.14% | 97.09% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 87.35% | 95.50% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.13% | 95.93% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 84.21% | 95.38% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.94% | 90.17% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.63% | 96.38% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.47% | 97.28% |
| CHEMBL240 | Q12809 | HERG | 81.09% | 89.76% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.82% | 92.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.70% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.31% | 92.50% |
| CHEMBL233 | P35372 | Mu opioid receptor | 80.22% | 97.93% |
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.
| There are no matching plants. |
| PubChem | 181255 |
| LOTUS | LTS0068338 |
| wikiData | Q27282380 |