2-[(3R,4R,6S)-4,6-diethyl-6-[(E,4S)-4-methyloct-1-enyl]dioxan-3-yl]acetic acid
| Internal ID | 45373d0c-1c4e-45c7-a85e-50bb1d167707 |
| Taxonomy | Organoheterocyclic compounds > Dioxanes > 1,2-dioxanes |
| IUPAC Name | 2-[(3R,4R,6S)-4,6-diethyl-6-[(E,4S)-4-methyloct-1-enyl]dioxan-3-yl]acetic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H34O4/c1-5-8-10-15(4)11-9-12-19(7-3)14-16(6-2)17(22-23-19)13-18(20)21/h9,12,15-17H,5-8,10-11,13-14H2,1-4H3,(H,20,21)/b12-9+/t15-,16+,17+,19+/m0/s1 |
| InChI Key | AKBFGHAJRIWRLY-MSPOBTTLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H34O4 |
| Molecular Weight | 326.50 g/mol |
| Exact Mass | 326.24570956 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 5.40 |
| There are no found synonyms. |
![2D Structure of 2-[(3R,4R,6S)-4,6-diethyl-6-[(E,4S)-4-methyloct-1-enyl]dioxan-3-yl]acetic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2-3r4r6s-46-diethyl-6-e4s-4-methyloct-1-enyldioxan-3-ylacetic-acid.jpg "2D Structure of 2-[(3R,4R,6S)-4,6-diethyl-6-[(E,4S)-4-methyloct-1-enyl]dioxan-3-yl]acetic acid")
| 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 | 97.41% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.75% | 98.95% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 93.06% | 96.61% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.66% | 97.25% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 92.57% | 98.03% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 91.87% | 96.47% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.83% | 93.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.25% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.03% | 90.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.68% | 99.17% |
| CHEMBL268 | P43235 | Cathepsin K | 86.19% | 96.85% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.13% | 100.00% |
| CHEMBL236 | P41143 | Delta opioid receptor | 86.11% | 99.35% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.10% | 93.00% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 84.05% | 96.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.01% | 92.50% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 83.64% | 97.29% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 83.62% | 95.00% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 82.65% | 97.50% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 82.58% | 93.31% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.43% | 91.11% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.41% | 91.19% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.02% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.69% | 95.56% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 81.26% | 94.66% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 80.39% | 92.32% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 80.19% | 100.00% |
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 | 163025297 |
| LOTUS | LTS0031642 |
| wikiData | Q104913520 |