[(2R)-1-hydroxy-5-methyl-2-prop-1-en-2-ylhex-4-enyl] acetate
| Internal ID | 256d8b9c-44ce-4c54-8501-11bd195fc4b4 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Acyclic monoterpenoids |
| IUPAC Name | [(2R)-1-hydroxy-5-methyl-2-prop-1-en-2-ylhex-4-enyl] acetate |
| SMILES (Canonical) | CC(=CCC(C(O)OC(=O)C)C(=C)C)C |
| SMILES (Isomeric) | CC(=CC[C@@H](C(O)OC(=O)C)C(=C)C)C |
| InChI | InChI=1S/C12H20O3/c1-8(2)6-7-11(9(3)4)12(14)15-10(5)13/h6,11-12,14H,3,7H2,1-2,4-5H3/t11-,12?/m1/s1 |
| InChI Key | FGCJSUJKWRGUHE-JHJMLUEUSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C12H20O3 |
| Molecular Weight | 212.28 g/mol |
| Exact Mass | 212.14124450 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of [(2R)-1-hydroxy-5-methyl-2-prop-1-en-2-ylhex-4-enyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/2r-1-hydroxy-5-methyl-2-prop-1-en-2-ylhex-4-enyl-acetate.jpg "2D Structure of [(2R)-1-hydroxy-5-methyl-2-prop-1-en-2-ylhex-4-enyl] acetate")
| 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 | 92.32% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.15% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.33% | 94.45% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.88% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.18% | 97.21% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.11% | 85.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.08% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.17% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.34% | 91.11% |
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 absinthium |
| Bellis perennis |
| Lavandula angustifolia |
| Lavandula angustifolia subsp. angustifolia |
| Lavandula stoechas subsp. luisieri |
| Ophryosporus charua |
| Tessaria fastigiata |
| PubChem | 129819800 |
| LOTUS | LTS0210089 |
| wikiData | Q104254557 |