Desglucocoroloside
| Internal ID | 7c61435f-e46c-4229-a431-8a11a5c8bb85 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroid lactones > Cardenolides and derivatives > Cardenolide glycosides and derivatives |
| IUPAC Name | 3-[3-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H44O7/c1-16-26(32)23(30)14-25(35-16)36-19-6-9-27(2)18(13-19)4-5-22-21(27)7-10-28(3)20(8-11-29(22,28)33)17-12-24(31)34-15-17/h12,16,18-23,25-26,30,32-33H,4-11,13-15H2,1-3H3 |
| InChI Key | NQOMDNMTNVQXRR-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C29H44O7 |
| Molecular Weight | 504.70 g/mol |
| Exact Mass | 504.30870374 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 2.50 |
| (5beta)-3beta-[(2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide |
| Deglucocoroloside |
| 18404-43-8 |
| Digitoxigenin boivinoside |
| CHEBI:173218 |
| 3-[3-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-uran-5-one |
| 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 | 97.35% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 96.08% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.21% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.94% | 96.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 94.38% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.16% | 97.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.90% | 96.77% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.70% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.34% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.53% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.37% | 85.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.91% | 92.94% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.63% | 99.23% |
| CHEMBL1871 | P10275 | Androgen Receptor | 84.33% | 96.43% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.27% | 94.00% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 83.97% | 81.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.82% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.02% | 89.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.97% | 97.25% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.38% | 90.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.60% | 97.14% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.41% | 83.82% |
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.
| Corchorus olitorius |
| PubChem | 15559187 |
| LOTUS | LTS0036041 |
| wikiData | Q105184010 |