Notoginsenoside R6
| Internal ID | cde0c9cb-0397-4e46-8c34-216b6b585c7d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 2-[[6-[2-[3,12-dihydroxy-4,4,8,10,14-pentamethyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)OC5C(C(C(C(O5)CO)O)O)O)C)O)C)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)O)O)O)O)O)O)C |
| SMILES (Isomeric) | CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)OC5C(C(C(C(O5)CO)O)O)O)C)O)C)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)O)O)O)O)O)O)C |
| InChI | InChI=1S/C48H82O19/c1-21(2)10-9-13-48(8,67-43-39(61)36(58)33(55)27(66-43)20-62-41-37(59)34(56)31(53)25(18-49)64-41)22-11-15-46(6)30(22)23(51)16-28-45(5)14-12-29(52)44(3,4)40(45)24(17-47(28,46)7)63-42-38(60)35(57)32(54)26(19-50)65-42/h10,22-43,49-61H,9,11-20H2,1-8H3 |
| InChI Key | YPUHYSBFIMWSEC-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C48H82O19 |
| Molecular Weight | 963.20 g/mol |
| Exact Mass | 962.54503038 g/mol |
| Topological Polar Surface Area (TPSA) | 318.00 Ų |
| XlogP | 0.50 |
| (+)-Notoginsenoside R6 |
| 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 | 98.57% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.66% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.34% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 94.68% | 95.93% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 91.06% | 95.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.77% | 86.33% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 90.27% | 96.61% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.67% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.42% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.41% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.75% | 94.45% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 86.75% | 95.38% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.09% | 92.94% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.81% | 97.79% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.92% | 96.90% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 83.61% | 97.36% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 83.45% | 99.43% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 83.20% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.10% | 97.14% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 82.01% | 95.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.89% | 100.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.43% | 96.43% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.11% | 98.95% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.56% | 100.00% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.37% | 95.83% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.16% | 94.75% |
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.
| Panax japonicus |
| Panax notoginseng |
| Panax vietnamensis |
| PubChem | 73157231 |
| LOTUS | LTS0269228 |
| wikiData | Q105351869 |