Taraxinic acid glucosyl ester
| Internal ID | 548607cc-ebc1-4b14-98be-aced640f89d1 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Germacranolides and derivatives |
| IUPAC Name | [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (6E,10Z)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate |
| SMILES (Canonical) | CC1=CC2C(CCC(=CCC1)C(=O)OC3C(C(C(C(O3)CO)O)O)O)C(=C)C(=O)O2 |
| SMILES (Isomeric) | C/C/1=C/C2C(CC/C(=C\CC1)/C(=O)OC3C(C(C(C(O3)CO)O)O)O)C(=C)C(=O)O2 |
| InChI | InChI=1S/C21H28O9/c1-10-4-3-5-12(6-7-13-11(2)19(26)28-14(13)8-10)20(27)30-21-18(25)17(24)16(23)15(9-22)29-21/h5,8,13-18,21-25H,2-4,6-7,9H2,1H3/b10-8-,12-5+ |
| InChI Key | SIOXYUXOHTZOOM-INAGUISBSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C21H28O9 |
| Molecular Weight | 424.40 g/mol |
| Exact Mass | 424.17333247 g/mol |
| Topological Polar Surface Area (TPSA) | 143.00 Ų |
| XlogP | 0.40 |
| Taraxinic acid beta-glucopyranosyl ester |
| CHEBI:172666 |
| (-)-Taraxinic acid beta-glucopyranosyl ester |
| [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (6E,10Z)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]uran-6-carboxylate |
| 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 | 96.78% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.80% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.72% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.31% | 83.82% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.13% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.77% | 97.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.93% | 97.79% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 88.73% | 97.36% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.75% | 95.56% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 87.19% | 92.50% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 86.32% | 91.24% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.09% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.00% | 94.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.38% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.28% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.74% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.10% | 89.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.43% | 96.61% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.35% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.02% | 99.17% |
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.
| Taraxacum erythrospermum |
| Taraxacum officinale |
| PubChem | 131751687 |
| LOTUS | LTS0131849 |
| wikiData | Q104392789 |