Chiisanoside
| Internal ID | ef63e7b7-3104-4e33-baa1-af6aa74365b5 |
| 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,2R,5S,8R,9R,10R,12R,16R,17S,18S,21S)-16-hydroxy-1,2,17-trimethyl-14-oxo-8,18-bis(prop-1-en-2-yl)-13-oxapentacyclo[10.8.1.02,10.05,9.017,21]henicosane-5-carboxylate |
| SMILES (Canonical) | CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)OC(=O)C45CCC(C4C6CC7C8C(C6(CC5)C)(CCC(C8(C(CC(=O)O7)O)C)C(=C)C)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]6C[C@@H]7[C@H]8[C@]([C@@]6(CC5)C)(CC[C@H]([C@@]8([C@@H](CC(=O)O7)O)C)C(=C)C)C)C(=C)C)O)O)O)CO)O)O)O |
| InChI | InChI=1S/C48H74O19/c1-19(2)22-9-12-48(14-13-45(6)24(30(22)48)15-25-40-46(45,7)11-10-23(20(3)4)47(40,8)28(50)16-29(51)63-25)44(60)67-43-37(58)34(55)32(53)27(65-43)18-61-41-38(59)35(56)39(26(17-49)64-41)66-42-36(57)33(54)31(52)21(5)62-42/h21-28,30-43,49-50,52-59H,1,3,9-18H2,2,4-8H3/t21-,22-,23-,24+,25+,26+,27+,28+,30+,31-,32+,33+,34-,35+,36+,37+,38+,39+,40-,41+,42-,43-,45+,46+,47+,48-/m0/s1 |
| InChI Key | JVLBOZIUMGNKQW-JBPVHNHLSA-N |
| Popularity | 8 references in papers |
| Molecular Formula | C48H74O19 |
| Molecular Weight | 955.10 g/mol |
| Exact Mass | 954.48243013 g/mol |
| Topological Polar Surface Area (TPSA) | 301.00 Ų |
| XlogP | 1.10 |
| CHEMBL507957 |
| SCHEMBL2448018 |
| 89354-01-8 |
| [(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,2R,5S,8R,9R,10R,12R,16R,17S,18S,21S)-16-hydroxy-1,2,17-trimethyl-14-oxo-8,18-bis(prop-1-en-2-yl)-13-oxapentacyclo[10.8.1.02,10.05,9.017,21]henicosane-5-carboxylate |
| 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 | 98.90% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.62% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.51% | 96.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 95.28% | 97.79% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.81% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.41% | 97.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 93.14% | 96.61% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.31% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.16% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.81% | 89.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.33% | 92.94% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 88.33% | 97.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.10% | 98.95% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.88% | 93.04% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 86.61% | 92.50% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.86% | 95.50% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.81% | 94.80% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 85.19% | 97.36% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 85.06% | 92.86% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.93% | 95.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.84% | 100.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.62% | 96.77% |
| CHEMBL1871 | P10275 | Androgen Receptor | 83.02% | 96.43% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.76% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.18% | 91.19% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.54% | 91.24% |
| CHEMBL233 | P35372 | Mu opioid receptor | 81.45% | 97.93% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.32% | 96.90% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.86% | 99.23% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.61% | 95.83% |
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.
| Eleutherococcus divaricatus |
| Eleutherococcus senticosus |
| Eleutherococcus sessiliflorus |
| PubChem | 21626427 |
| NPASS | NPC54395 |
| ChEMBL | CHEMBL507957 |
| LOTUS | LTS0155128 |
| wikiData | Q105135813 |