(2R)-2-[(2S)-5-[3-(furan-3-yl)propylidene]oxan-2-yl]-6-methylhept-5-ene-1,2-diol
| Internal ID | 9e6c51e8-d6c5-49e5-98c3-b8ad0d633459 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols |
| IUPAC Name | (2R)-2-[(2S)-5-[3-(furan-3-yl)propylidene]oxan-2-yl]-6-methylhept-5-ene-1,2-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H30O4/c1-16(2)5-4-11-20(22,15-21)19-9-8-17(14-24-19)6-3-7-18-10-12-23-13-18/h5-6,10,12-13,19,21-22H,3-4,7-9,11,14-15H2,1-2H3/t19-,20+/m0/s1 |
| InChI Key | JRRKNNHWQABOMA-VQTJNVASSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H30O4 |
| Molecular Weight | 334.40 g/mol |
| Exact Mass | 334.21440943 g/mol |
| Topological Polar Surface Area (TPSA) | 62.80 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of (2R)-2-[(2S)-5-[3-(furan-3-yl)propylidene]oxan-2-yl]-6-methylhept-5-ene-1,2-diol](https://plantaedb.com/storage/docs/compounds/2023/11/2r-2-2s-5-3-furan-3-ylpropylideneoxan-2-yl-6-methylhept-5-ene-12-diol.jpg "2D Structure of (2R)-2-[(2S)-5-[3-(furan-3-yl)propylidene]oxan-2-yl]-6-methylhept-5-ene-1,2-diol")
| 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 |
|---|---|---|---|---|
| CHEMBL226 | P30542 | Adenosine A1 receptor | 94.48% | 95.93% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.32% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.08% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.67% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.30% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.74% | 94.45% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 89.01% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.64% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.34% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.40% | 95.89% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.15% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.83% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.28% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.15% | 94.73% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 80.90% | 98.59% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 80.34% | 92.51% |
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.
| Baccharis thymifolia |
| PubChem | 162819727 |
| LOTUS | LTS0052694 |
| wikiData | Q105134057 |