Formylstrospeside
Internal ID | 698648de-244d-4f90-8a32-7347be9eb6aa |
Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroid lactones > Cardenolides and derivatives > Cardenolide glycosides and derivatives |
IUPAC Name | [3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] formate |
SMILES (Canonical) | CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)OC=O)O)C)C)O)OC)O |
SMILES (Isomeric) | CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)OC=O)O)C)C)O)OC)O |
InChI | InChI=1S/C31H46O10/c1-16-25(34)27(37-4)26(35)28(40-16)41-19-7-9-29(2)18(12-19)5-6-21-20(29)8-10-30(3)24(17-11-23(33)38-14-17)22(39-15-32)13-31(21,30)36/h11,15-16,18-22,24-28,34-36H,5-10,12-14H2,1-4H3 |
InChI Key | XKWTVJAWBRFKLO-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C31H46O10 |
Molecular Weight | 578.70 g/mol |
Exact Mass | 578.30909766 g/mol |
Topological Polar Surface Area (TPSA) | 141.00 Ų |
XlogP | 1.90 |
DTXSID80988453 |
3-[(6-Deoxy-3-O-methylhexopyranosyl)oxy]-16-(formyloxy)-14-hydroxycard-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 | 97.84% | 91.11% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 96.45% | 100.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.34% | 96.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.19% | 86.33% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.11% | 97.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.76% | 94.45% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.32% | 95.89% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.24% | 92.94% |
CHEMBL1871 | P10275 | Androgen Receptor | 89.01% | 96.43% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.99% | 95.56% |
CHEMBL3492 | P49721 | Proteasome Macropain subunit | 88.83% | 90.24% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.97% | 89.00% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.63% | 96.77% |
CHEMBL4208 | P20618 | Proteasome component C5 | 85.37% | 90.00% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.73% | 85.14% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.27% | 90.71% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.13% | 97.25% |
CHEMBL4530 | P00488 | Coagulation factor XIII | 81.72% | 96.00% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.61% | 99.23% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.60% | 94.00% |
CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.58% | 92.50% |
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.
Digitalis lanata |
PubChem | 197858 |
LOTUS | LTS0129299 |
wikiData | Q105329743 |