Methyl 9-(3-ethyl-3-methyloxiran-2-yl)-3,7-dimethylnona-2,6-dienoate
| Internal ID | c78a91ce-ea4b-4b6e-b8f5-95852e858029 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Monocyclic monoterpenoids |
| IUPAC Name | methyl 9-(3-ethyl-3-methyloxiran-2-yl)-3,7-dimethylnona-2,6-dienoate |
| SMILES (Canonical) | CCC1(C(O1)CCC(=CCCC(=CC(=O)OC)C)C)C |
| SMILES (Isomeric) | CCC1(C(O1)CCC(=CCCC(=CC(=O)OC)C)C)C |
| InChI | InChI=1S/C17H28O3/c1-6-17(4)15(20-17)11-10-13(2)8-7-9-14(3)12-16(18)19-5/h8,12,15H,6-7,9-11H2,1-5H3 |
| InChI Key | CPVQJXZBSGXTGJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H28O3 |
| Molecular Weight | 280.40 g/mol |
| Exact Mass | 280.20384475 g/mol |
| Topological Polar Surface Area (TPSA) | 38.80 Ų |
| XlogP | 4.50 |
| methyl 9-(3-ethyl-3-methyloxiran-2-yl)-3,7-dimethylnona-2,6-dienoate |
| methyl rac-10,11-epoxy-3,7,11-trimethyl-2,6-tridecadienoate |
| 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 | 97.56% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.66% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.77% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.30% | 90.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.95% | 99.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.81% | 91.19% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.56% | 85.14% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 86.31% | 95.71% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 85.71% | 96.61% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.66% | 94.33% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 85.65% | 92.88% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.04% | 94.73% |
| CHEMBL233 | P35372 | Mu opioid receptor | 84.03% | 97.93% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.38% | 95.50% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.98% | 91.24% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.74% | 97.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.42% | 100.00% |
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 | 152332 |
| LOTUS | LTS0236763 |
| wikiData | Q104967805 |