5,6-Dihydro-pinolidoxin
| Internal ID | b65ab3a3-533b-4ca2-ba90-0cacc27d5d08 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters |
| IUPAC Name | (8,9-dihydroxy-2-oxo-10-propyloxecan-3-yl) (2E,4E)-hexa-2,4-dienoate |
| SMILES (Canonical) | CCCC1C(C(CCCCC(C(=O)O1)OC(=O)C=CC=CC)O)O |
| SMILES (Isomeric) | CCCC1C(C(CCCCC(C(=O)O1)OC(=O)/C=C/C=C/C)O)O |
| InChI | InChI=1S/C18H28O6/c1-3-5-6-12-16(20)23-15-11-8-7-10-13(19)17(21)14(9-4-2)24-18(15)22/h3,5-6,12-15,17,19,21H,4,7-11H2,1-2H3/b5-3+,12-6+ |
| InChI Key | FMVRTWDUGYFHPQ-IBAXKFRNSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H28O6 |
| Molecular Weight | 340.40 g/mol |
| Exact Mass | 340.18858861 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 2.80 |
| (8,9-dihydroxy-2-oxo-10-propyloxecan-3-yl) (2E,4E)-hexa-2,4-dienoate |
| RefChem:101164 |
| CHEBI:227711 |
| 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 | 94.74% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.90% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.76% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.27% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.11% | 97.09% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 86.67% | 92.50% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.42% | 83.82% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.95% | 89.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.75% | 92.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.21% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.21% | 95.56% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.02% | 94.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.85% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.08% | 91.19% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.34% | 95.93% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.14% | 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 | 139586761 |
| LOTUS | LTS0128540 |
| wikiData | Q77513857 |