ginsenoside R1
Internal ID | dc7a7637-4a9c-4452-850a-81795cc503de |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
IUPAC Name | 2-[2-[6-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3,12-dihydroxy-4,4,8,10,14-pentamethyl-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-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)OC6C(C(C(CO6)O)O)O)C)O)C)OC7C(C(C(C(O7)CO)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)OC6C(C(C(CO6)O)O)O)C)O)C)OC7C(C(C(C(O7)CO)O)O)O)C |
InChI | InChI=1S/C47H80O18/c1-21(2)10-9-13-47(8,65-41-37(59)34(56)32(54)26(18-48)62-41)22-11-15-45(6)30(22)23(50)16-28-44(5)14-12-29(52)43(3,4)39(44)25(17-46(28,45)7)61-42-38(35(57)33(55)27(19-49)63-42)64-40-36(58)31(53)24(51)20-60-40/h10,22-42,48-59H,9,11-20H2,1-8H3 |
InChI Key | LLPWNQMSUYAGQI-UHFFFAOYSA-N |
Popularity | 5 references in papers |
Molecular Formula | C47H80O18 |
Molecular Weight | 933.10 g/mol |
Exact Mass | 932.53446570 g/mol |
Topological Polar Surface Area (TPSA) | 298.00 Ų |
XlogP | 1.10 |
BCP14046 |
LS-15480 |
Sanchinoside R1; Sanqi glucoside R1;Notoginsenoside-R1 |
2-[1-[6-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxytetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl]oxy-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1,5-dimethyl-hex-4-enoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol |

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 | 98.70% | 91.11% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.41% | 97.25% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 95.94% | 95.93% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.88% | 97.09% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 91.83% | 96.61% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 91.06% | 95.50% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.40% | 100.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.60% | 94.45% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.42% | 92.94% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.34% | 86.33% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.28% | 96.09% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.19% | 95.89% |
CHEMBL1914 | P06276 | Butyrylcholinesterase | 88.38% | 95.00% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 87.95% | 97.36% |
CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 86.57% | 95.58% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.27% | 94.75% |
CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 84.33% | 90.24% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.44% | 97.14% |
CHEMBL1977 | P11473 | Vitamin D receptor | 83.42% | 99.43% |
CHEMBL4105786 | P41182 | B-cell lymphoma 6 protein | 82.96% | 92.86% |
CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.90% | 96.90% |
CHEMBL2581 | P07339 | Cathepsin D | 82.70% | 98.95% |
CHEMBL259 | P32245 | Melanocortin receptor 4 | 82.50% | 95.38% |
CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 82.00% | 100.00% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.41% | 100.00% |
CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.18% | 92.88% |
CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.24% | 95.83% |
CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.08% | 91.24% |
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 ginseng |
Panax japonicus |
Panax notoginseng |
PubChem | 4483635 |
LOTUS | LTS0103700 |
wikiData | Q105153640 |