methyl (2R)-2-[(3S,6R)-6-methyl-6-[4-methyl-6-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]hex-4-enyl]dioxan-3-yl]propanoate
| Internal ID | 68db98e9-c427-4de2-83eb-57012ea41d7e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | methyl (2R)-2-[(3S,6R)-6-methyl-6-[4-methyl-6-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]hex-4-enyl]dioxan-3-yl]propanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H42O4/c1-18(12-13-21-19(2)11-9-15-24(21,4)5)10-8-16-25(6)17-14-22(28-29-25)20(3)23(26)27-7/h11-12,20-22H,8-10,13-17H2,1-7H3/t20-,21+,22+,25-/m1/s1 |
| InChI Key | GTRMWSMRZUVWBH-HXKBJWFLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H42O4 |
| Molecular Weight | 406.60 g/mol |
| Exact Mass | 406.30830982 g/mol |
| Topological Polar Surface Area (TPSA) | 44.80 Ų |
| XlogP | 6.50 |
| There are no found synonyms. |
![2D Structure of methyl (2R)-2-[(3S,6R)-6-methyl-6-[4-methyl-6-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]hex-4-enyl]dioxan-3-yl]propanoate](https://plantaedb.com/storage/docs/compounds/2023/11/701cce40-856b-11ee-9a0e-1bf953e21c60.jpg "2D Structure of methyl (2R)-2-[(3S,6R)-6-methyl-6-[4-methyl-6-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]hex-4-enyl]dioxan-3-yl]propanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.55% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.43% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.78% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.31% | 97.25% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.73% | 99.17% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.54% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.03% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.68% | 92.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.32% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.53% | 94.73% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.39% | 91.07% |
| CHEMBL5028 | O14672 | ADAM10 | 84.16% | 97.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.67% | 94.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.49% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.99% | 97.09% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 82.62% | 97.50% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.29% | 95.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.74% | 93.56% |
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 | 162882477 |
| LOTUS | LTS0219411 |
| wikiData | Q105019337 |