3beta-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5,11alpha,14-trihydroxy-19-oxo-5beta-card-20(22)-enolide
| Internal ID | 37da005c-85d7-4987-ab1e-ce29a44af978 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroid lactones > Cardenolides and derivatives > Cardenolide glycosides and derivatives |
| IUPAC Name | 5,11,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde |
| SMILES (Canonical) | CC1C(C(C(C(O1)OC2CCC3(C4C(CCC3(C2)O)C5(CCC(C5(CC4O)C)C6=CC(=O)OC6)O)C=O)O)O)O |
| SMILES (Isomeric) | CC1C(C(C(C(O1)OC2CCC3(C4C(CCC3(C2)O)C5(CCC(C5(CC4O)C)C6=CC(=O)OC6)O)C=O)O)O)O |
| InChI | InChI=1S/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)21-18(4-7-28(27,36)10-16)29(37)8-5-17(15-9-20(32)38-12-15)26(29,2)11-19(21)31/h9,13-14,16-19,21-25,31,33-37H,3-8,10-12H2,1-2H3 |
| InChI Key | AZOXLPPOBHVORY-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C29H42O11 |
| Molecular Weight | 566.60 g/mol |
| Exact Mass | 566.27271215 g/mol |
| Topological Polar Surface Area (TPSA) | 183.00 Ų |
| XlogP | -1.80 |
| 3beta-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5,11alpha,14-trihydroxy-19-oxo-5beta-card-20(22)-enolide |
| 6875-30-5 |
| 508-73-6 |
![2D Structure of 3beta-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5,11alpha,14-trihydroxy-19-oxo-5beta-card-20(22)-enolide](https://plantaedb.com/storage/docs/compounds/2023/11/3beta-6-deoxy-alpha-l-mannopyranosyloxy-511alpha14-trihydroxy-19-oxo-5beta-card-2022-enolide.jpg "2D Structure of 3beta-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5,11alpha,14-trihydroxy-19-oxo-5beta-card-20(22)-enolide")
| 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 | 98.42% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.08% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.53% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 96.42% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.12% | 86.33% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.19% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.17% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.52% | 94.45% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 90.88% | 97.36% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.61% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.43% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.12% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.77% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.01% | 90.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.58% | 92.94% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 86.11% | 83.57% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.31% | 97.25% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.85% | 95.93% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 84.36% | 91.38% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 82.62% | 94.78% |
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.
| Crossopetalum gaumeri |
| Erysimum cheiri |
| Erysimum contractum |
| Ornithogalum nutans |
| Strophanthus sarmentosus |
| PubChem | 12315321 |
| LOTUS | LTS0146073 |
| wikiData | Q104921847 |