Zizyphoiside E
| Internal ID | cbe54293-5b0a-43b3-a23e-392be88d10b9 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | [6-[2-[3,5-dihydroxy-2-[[16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] acetate |
| SMILES (Canonical) | CC1C(C(C(C(O1)OC2C(C(OC(C2O)OC3C(COC(C3O)OC4CCC5(C6CCC7C8C(CC(OC89CC7(C6(CCC5C4(C)C)C)CO9)C=C(C)C)(C)O)C)O)CO)O)O)O)OC(=O)C |
| SMILES (Isomeric) | CC1C(C(C(C(O1)OC2C(C(OC(C2O)OC3C(COC(C3O)OC4CCC5(C6CCC7C8C(CC(OC89CC7(C6(CCC5C4(C)C)C)CO9)C=C(C)C)(C)O)C)O)CO)O)O)O)OC(=O)C |
| InChI | InChI=1S/C49H78O18/c1-22(2)16-25-17-47(9,58)40-26-10-11-30-45(7)14-13-31(44(5,6)29(45)12-15-46(30,8)48(26)20-49(40,67-25)60-21-48)64-41-35(56)38(27(52)19-59-41)65-43-36(57)39(32(53)28(18-50)63-43)66-42-34(55)33(54)37(23(3)61-42)62-24(4)51/h16,23,25-43,50,52-58H,10-15,17-21H2,1-9H3 |
| InChI Key | MKPLIDATQPIMFJ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C49H78O18 |
| Molecular Weight | 955.10 g/mol |
| Exact Mass | 954.51881563 g/mol |
| Topological Polar Surface Area (TPSA) | 262.00 Ų |
| XlogP | 2.60 |
| 156436-85-0 |
| DTXSID80935447 |
| 4-O-Acetylrhamnopyranosyl-1-3-glucopyranosyl-1-3-arabinopyranosyl-1-3-jujubogenin |
| 20-hydroxy-16,23:16,30-diepoxydammar-24-en-3-yl 4-o-acetyl-6-deoxyhexopyranosyl-(1->3)hexopyranosyl-(1->3)pentopyranoside |
| [6-[2-[3,5-dihydroxy-2-[[16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] acetate |
| alpha-L-Arabinopyranoside, (3beta,16beta,23R)-16,23:16,30-diepoxy-20-hydroxydammar-24-en-3-yl O-4-O-acetyl-6-deoxy-alpha-L-mannopyranosyl-(1-3)-O-beta-D-glucopyranosyl-(1-3)- |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.88% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.91% | 91.11% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 95.02% | 91.24% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.38% | 98.95% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 92.94% | 96.61% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.27% | 89.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.23% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.99% | 86.33% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 89.69% | 98.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.14% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.86% | 95.89% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 88.86% | 95.50% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.74% | 94.75% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.66% | 95.93% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.66% | 91.19% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 88.61% | 97.47% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.30% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.28% | 94.45% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 85.84% | 89.44% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.29% | 92.94% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 84.69% | 95.92% |
| CHEMBL279 | P35968 | Vascular endothelial growth factor receptor 2 | 84.50% | 95.52% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.31% | 92.62% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 84.28% | 98.99% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 83.86% | 95.71% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 83.84% | 95.36% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.62% | 97.09% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.28% | 94.33% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.18% | 92.50% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 83.00% | 100.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.73% | 97.28% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.97% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 81.89% | 97.50% |
| CHEMBL203 | P00533 | Epidermal growth factor receptor erbB1 | 81.80% | 97.34% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 81.17% | 89.67% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 81.01% | 95.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.75% | 95.89% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 80.33% | 97.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.27% | 96.95% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 80.18% | 97.36% |
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.
| Alphitonia zizyphoides |
| PubChem | 190839 |
| LOTUS | LTS0117565 |
| wikiData | Q82911498 |