Methyl 2-[6-methyl-6-[4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-enyl]dioxan-3-yl]propanoate
| Internal ID | d80096fe-2d49-4834-8d09-04e91b2f4fa4 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | methyl 2-[6-methyl-6-[4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-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/h10,20,22H,8-9,11-17H2,1-7H3 |
| InChI Key | KGRANTXTMXDAIF-UHFFFAOYSA-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 | 6.40 |
| There are no found synonyms. |
![2D Structure of Methyl 2-[6-methyl-6-[4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-enyl]dioxan-3-yl]propanoate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-2-6-methyl-6-4-methyl-6-266-trimethylcyclohexen-1-ylhex-3-enyldioxan-3-ylpropanoate.jpg "2D Structure of Methyl 2-[6-methyl-6-[4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.08% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.85% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.86% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.60% | 97.25% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 92.49% | 92.62% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 92.15% | 95.71% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.42% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.55% | 98.95% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 88.21% | 94.33% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 88.18% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.18% | 97.09% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 87.27% | 97.47% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.14% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.14% | 99.17% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.89% | 95.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.85% | 91.19% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.72% | 90.71% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.50% | 91.07% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 83.44% | 95.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.76% | 95.89% |
| CHEMBL5028 | O14672 | ADAM10 | 81.82% | 97.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.37% | 94.73% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.14% | 98.75% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 80.77% | 89.63% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.63% | 99.23% |
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 | 73816795 |
| LOTUS | LTS0081088 |
| wikiData | Q105140937 |