Oplopanaxoside D
| Internal ID | 9e742c00-442e-43c3-aa43-ac96518c0fe0 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Triterpene glycosides > Triterpene saponins |
| IUPAC Name | [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1R,3aS,5aR,5bR,7aR,8R,9S,11aR,11bR,13aR,13bR)-9-hydroxy-8-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate |
| SMILES (Canonical) | CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)OC(=O)C45CCC(C4C6CCC7C8(CCC(C(C8CCC7(C6(CC5)C)C)(C)CO)O)C)C(=C)C)O)O)O)CO)O)O)O |
| SMILES (Isomeric) | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)OC(=O)[C@]45CC[C@H]([C@@H]4[C@H]6CC[C@@H]7[C@]8(CC[C@@H]([C@@]([C@@H]8CC[C@]7([C@@]6(CC5)C)C)(C)CO)O)C)C(=C)C)O)O)O)CO)O)O)O |
| InChI | InChI=1S/C48H78O18/c1-21(2)23-10-15-48(17-16-46(6)24(30(23)48)8-9-28-44(4)13-12-29(51)45(5,20-50)27(44)11-14-47(28,46)7)43(60)66-42-37(58)34(55)32(53)26(64-42)19-61-40-38(59)35(56)39(25(18-49)63-40)65-41-36(57)33(54)31(52)22(3)62-41/h22-42,49-59H,1,8-20H2,2-7H3/t22-,23-,24+,25+,26+,27+,28+,29-,30+,31-,32+,33+,34-,35+,36+,37+,38+,39+,40+,41-,42-,44-,45-,46+,47+,48-/m0/s1 |
| InChI Key | VNTZDFZAGFBUPV-HKINQWRBSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C48H78O18 |
| Molecular Weight | 943.10 g/mol |
| Exact Mass | 942.51881563 g/mol |
| Topological Polar Surface Area (TPSA) | 295.00 Ų |
| XlogP | 1.90 |
| 162341-28-8 |
| Oplopanaxoside D |
| CHEMBL3391872 |
| HY-N8099 |
| AKOS040756939 |
| CS-0139946 |
| 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 |
|---|---|---|---|---|
| CHEMBL233 | P35372 | Mu opioid receptor | 96.92% | 97.93% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.35% | 91.11% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 93.12% | 96.61% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.79% | 96.09% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 92.55% | 97.36% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.66% | 97.25% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 91.61% | 96.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.55% | 97.09% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 90.97% | 96.09% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 90.96% | 92.86% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.33% | 86.33% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 90.25% | 95.50% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.11% | 95.93% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.95% | 92.94% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.72% | 89.00% |
| CHEMBL1974 | P36888 | Tyrosine-protein kinase receptor FLT3 | 87.68% | 91.83% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 87.03% | 91.24% |
| CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 86.99% | 97.86% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.65% | 93.04% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.57% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.44% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.25% | 96.77% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 86.23% | 81.11% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 85.91% | 92.50% |
| CHEMBL2096618 | P11274 | Bcr/Abl fusion protein | 85.86% | 85.83% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.66% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.33% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.17% | 94.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.95% | 95.89% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 84.39% | 97.33% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 84.08% | 89.05% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 83.28% | 98.10% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 83.13% | 97.53% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.50% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.44% | 94.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.10% | 91.19% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.95% | 96.90% |
| CHEMBL5028 | O14672 | ADAM10 | 81.55% | 97.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.04% | 100.00% |
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.
| Pulsatilla chinensis |
| PubChem | 10772188 |
| LOTUS | LTS0173437 |
| wikiData | Q105289930 |