(2R,3S,4R,5R)-2-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]propan-2-yloxy]oxane-3,4,5-triol
| Internal ID | 062b419a-0376-46c9-8c9e-da6f56bb5d8b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Elemane sesquiterpenoids |
| IUPAC Name | (2R,3S,4R,5R)-2-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]propan-2-yloxy]oxane-3,4,5-triol |
| SMILES (Canonical) | CC(=C)C1CC(CCC1(C)C=C)C(C)(C)OC2C(C(C(CO2)O)O)O |
| SMILES (Isomeric) | CC(=C)[C@@H]1C[C@@H](CC[C@@]1(C)C=C)C(C)(C)O[C@@H]2[C@H]([C@@H]([C@@H](CO2)O)O)O |
| InChI | InChI=1S/C20H34O5/c1-7-20(6)9-8-13(10-14(20)12(2)3)19(4,5)25-18-17(23)16(22)15(21)11-24-18/h7,13-18,21-23H,1-2,8-11H2,3-6H3/t13-,14+,15-,16-,17+,18-,20-/m1/s1 |
| InChI Key | JXZZCLSBCDSPIJ-BGHSXCLPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H34O5 |
| Molecular Weight | 354.50 g/mol |
| Exact Mass | 354.24062418 g/mol |
| Topological Polar Surface Area (TPSA) | 79.20 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of (2R,3S,4R,5R)-2-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]propan-2-yloxy]oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/c3b48840-83b2-11ee-a42f-cbd5a212c42c.jpg "2D Structure of (2R,3S,4R,5R)-2-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]propan-2-yloxy]oxane-3,4,5-triol")
| 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 | 98.84% | 97.25% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.82% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.29% | 91.11% |
| CHEMBL1871 | P10275 | Androgen Receptor | 93.63% | 96.43% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 93.36% | 92.94% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 90.49% | 97.31% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 90.45% | 100.00% |
| CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 88.89% | 92.50% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.02% | 96.61% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.94% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.68% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.89% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.06% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.02% | 97.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.82% | 96.77% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.52% | 97.14% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 85.19% | 97.33% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 83.40% | 95.38% |
| CHEMBL2061 | P19793 | Retinoid X receptor alpha | 83.32% | 91.67% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 82.83% | 97.05% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.26% | 94.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.74% | 94.45% |
| CHEMBL5028 | O14672 | ADAM10 | 81.01% | 97.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.81% | 92.62% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.64% | 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.
| Lessingia glandulifera |
| PubChem | 163092097 |
| LOTUS | LTS0198306 |
| wikiData | Q105136878 |