(1R,3E,7E,11R)-1,5,5,7-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene
| Internal ID | 715ca682-dd66-48e0-a7ef-b0057b2560a9 |
| Taxonomy | Organoheterocyclic compounds > Epoxides |
| IUPAC Name | (1R,3E,7E,11R)-1,5,5,7-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene |
| SMILES (Canonical) | CC1=CCCC2C(O2)(CC=CC(C1)(C)C)C |
| SMILES (Isomeric) | C/C/1=C\CC[C@@H]2[C@](O2)(C/C=C/C(C1)(C)C)C |
| InChI | InChI=1S/C15H24O/c1-12-7-5-8-13-15(4,16-13)10-6-9-14(2,3)11-12/h6-7,9,13H,5,8,10-11H2,1-4H3/b9-6+,12-7+/t13-,15-/m1/s1 |
| InChI Key | JXRRJAPYKWLLHV-VTIZHKKYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H24O |
| Molecular Weight | 220.35 g/mol |
| Exact Mass | 220.182715385 g/mol |
| Topological Polar Surface Area (TPSA) | 12.50 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of (1R,3E,7E,11R)-1,5,5,7-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene](https://plantaedb.com/storage/docs/compounds/2023/11/1r3e7e11r-1557-tetramethyl-12-oxabicyclo910dodeca-37-diene.jpg "2D Structure of (1R,3E,7E,11R)-1,5,5,7-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene")
| 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 |
|---|---|---|---|---|
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 93.35% | 89.63% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.17% | 96.09% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 90.84% | 86.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.34% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.27% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.83% | 97.25% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.80% | 93.40% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.70% | 89.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 84.13% | 96.43% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.81% | 90.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.05% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.76% | 95.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.53% | 97.14% |
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.
| Artemisia annua |
| Callicarpa americana |
| Cistus creticus |
| Cyperus rotundus |
| Myrtus communis |
| PubChem | 162903458 |
| LOTUS | LTS0027633 |
| wikiData | Q105136750 |