Plakortide L
| Internal ID | 0b1178be-969e-4445-9434-31e12b754f06 |
| Taxonomy | Organoheterocyclic compounds > Dioxanes > 1,2-dioxanes |
| IUPAC Name | 2-[(3S,4S,6S)-4,6-diethyl-6-[(E)-pent-1-enyl]dioxan-3-yl]acetic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H26O4/c1-4-7-8-9-15(6-3)11-12(5-2)13(18-19-15)10-14(16)17/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,16,17)/b9-8+/t12-,13-,15+/m0/s1 |
| InChI Key | NPPFTXZITDOXDC-LATWXGIRSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C15H26O4 |
| Molecular Weight | 270.36 g/mol |
| Exact Mass | 270.18310931 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 3.60 |
| CHEMBL477496 |
| 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 | 96.24% | 96.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 89.71% | 96.61% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.68% | 97.25% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.62% | 90.17% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.21% | 92.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.58% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.20% | 99.17% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.20% | 93.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.13% | 91.19% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 80.57% | 95.00% |
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 | 23424767 |
| LOTUS | LTS0062951 |
| wikiData | Q105183292 |