[4-(6-Methylhept-5-en-2-yl)-5-oxo-7-oxabicyclo[4.1.0]heptan-1-yl]methyl 2-methylbut-2-enoate
| Internal ID | 6fbf528c-8b17-435e-94c5-704a99de7a4c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | [4-(6-methylhept-5-en-2-yl)-5-oxo-7-oxabicyclo[4.1.0]heptan-1-yl]methyl 2-methylbut-2-enoate |
| SMILES (Canonical) | CC=C(C)C(=O)OCC12CCC(C(=O)C1O2)C(C)CCC=C(C)C |
| SMILES (Isomeric) | CC=C(C)C(=O)OCC12CCC(C(=O)C1O2)C(C)CCC=C(C)C |
| InChI | InChI=1S/C20H30O4/c1-6-14(4)19(22)23-12-20-11-10-16(17(21)18(20)24-20)15(5)9-7-8-13(2)3/h6,8,15-16,18H,7,9-12H2,1-5H3 |
| InChI Key | JPLWCRKPJJCGPH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O4 |
| Molecular Weight | 334.40 g/mol |
| Exact Mass | 334.21440943 g/mol |
| Topological Polar Surface Area (TPSA) | 55.90 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of [4-(6-Methylhept-5-en-2-yl)-5-oxo-7-oxabicyclo[4.1.0]heptan-1-yl]methyl 2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/4-6-methylhept-5-en-2-yl-5-oxo-7-oxabicyclo410heptan-1-ylmethyl-2-methylbut-2-enoate.jpg "2D Structure of [4-(6-Methylhept-5-en-2-yl)-5-oxo-7-oxabicyclo[4.1.0]heptan-1-yl]methyl 2-methylbut-2-enoate")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.19% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.64% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.31% | 96.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 95.03% | 96.38% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.66% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.20% | 97.25% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.07% | 90.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.91% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.49% | 95.89% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.15% | 94.75% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.58% | 96.61% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.35% | 90.08% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.32% | 93.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.18% | 93.56% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 84.16% | 98.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.74% | 99.23% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.51% | 95.93% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.51% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.14% | 91.19% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.67% | 93.04% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.65% | 89.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.83% | 96.47% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.82% | 100.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.77% | 91.24% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.61% | 95.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.52% | 82.69% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.34% | 98.75% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.11% | 95.50% |
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.
| Stevia amambayensis |
| PubChem | 163062865 |
| LOTUS | LTS0095354 |
| wikiData | Q105132921 |