[(2R)-2-[(1R,2R,3S,4S)-4-ethenyl-2-hydroxy-4-methyl-3-prop-1-en-2-ylcyclohexyl]-1-hydroxypropan-2-yl] acetate
| Internal ID | 630617e0-9e6b-4889-8720-84cea9df4e0f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Elemane sesquiterpenoids |
| IUPAC Name | [(2R)-2-[(1R,2R,3S,4S)-4-ethenyl-2-hydroxy-4-methyl-3-prop-1-en-2-ylcyclohexyl]-1-hydroxypropan-2-yl] acetate |
| SMILES (Canonical) | CC(=C)C1C(C(CCC1(C)C=C)C(C)(CO)OC(=O)C)O |
| SMILES (Isomeric) | CC(=C)[C@@H]1[C@H]([C@@H](CC[C@@]1(C)C=C)[C@](C)(CO)OC(=O)C)O |
| InChI | InChI=1S/C17H28O4/c1-7-16(5)9-8-13(15(20)14(16)11(2)3)17(6,10-18)21-12(4)19/h7,13-15,18,20H,1-2,8-10H2,3-6H3/t13-,14-,15+,16-,17+/m1/s1 |
| InChI Key | UHOHMRLFYQIKRL-UUAJXVIYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H28O4 |
| Molecular Weight | 296.40 g/mol |
| Exact Mass | 296.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of [(2R)-2-[(1R,2R,3S,4S)-4-ethenyl-2-hydroxy-4-methyl-3-prop-1-en-2-ylcyclohexyl]-1-hydroxypropan-2-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/f4d9c840-853b-11ee-aa65-1d13f373f305.jpg "2D Structure of [(2R)-2-[(1R,2R,3S,4S)-4-ethenyl-2-hydroxy-4-methyl-3-prop-1-en-2-ylcyclohexyl]-1-hydroxypropan-2-yl] 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.32% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.67% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.63% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.81% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.99% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.41% | 94.45% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 84.10% | 97.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.55% | 95.89% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.50% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.65% | 89.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.91% | 91.19% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.19% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.07% | 97.09% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.68% | 100.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.39% | 91.07% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.33% | 97.05% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.06% | 91.24% |
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.
| Magnolia kachirachirai |
| PubChem | 162856724 |
| LOTUS | LTS0252002 |
| wikiData | Q105273014 |