1-[(2S,5E)-6,10-dimethylundeca-5,9-dien-2-yl]-4-methylbenzene
| Internal ID | 1111593c-3c71-4381-96bc-93f382fbe607 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 1-[(2S,5E)-6,10-dimethylundeca-5,9-dien-2-yl]-4-methylbenzene |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H30/c1-16(2)8-6-9-17(3)10-7-11-19(5)20-14-12-18(4)13-15-20/h8,10,12-15,19H,6-7,9,11H2,1-5H3/b17-10+/t19-/m0/s1 |
| InChI Key | IYQVATJMGUYOMV-DMVFFGLYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H30 |
| Molecular Weight | 270.50 g/mol |
| Exact Mass | 270.234750957 g/mol |
| Topological Polar Surface Area (TPSA) | 0.00 Ų |
| XlogP | 7.20 |
| There are no found synonyms. |
![2D Structure of 1-[(2S,5E)-6,10-dimethylundeca-5,9-dien-2-yl]-4-methylbenzene](https://plantaedb.com/storage/docs/compounds/2023/11/1-2s5e-610-dimethylundeca-59-dien-2-yl-4-methylbenzene.jpg "2D Structure of 1-[(2S,5E)-6,10-dimethylundeca-5,9-dien-2-yl]-4-methylbenzene")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 95.25% | 98.95% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 94.57% | 92.08% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.91% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.91% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.12% | 93.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.29% | 96.09% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 86.73% | 92.51% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.72% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.62% | 91.11% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 83.48% | 94.62% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.68% | 96.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.24% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.02% | 94.45% |
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.
| Salvia sclarea |
| PubChem | 163186427 |
| LOTUS | LTS0077833 |
| wikiData | Q105122889 |