Vinaginsenoside R6
Internal ID | 29616ed5-06c5-4396-9532-3633b1a2e74b |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Triterpene glycosides > Triterpene saponins |
IUPAC Name | 2-[[6-[[3,12-dihydroxy-17-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-3,4-dihydroxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
SMILES (Canonical) | CC1(C(CCC2(C1C(CC3(C2CC(C4C3(CCC4C5(CCC(O5)C(C)(C)O)C)C)O)C)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)O)O)O)O)O)OC8C(C(C(CO8)O)O)O)C)O)C |
SMILES (Isomeric) | CC1(C(CCC2(C1C(CC3(C2CC(C4C3(CCC4C5(CCC(O5)C(C)(C)O)C)C)O)C)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)O)O)O)O)O)OC8C(C(C(CO8)O)O)O)C)O)C |
InChI | InChI=1S/C47H80O19/c1-42(2)27(51)10-12-44(5)26-15-21(49)29-20(47(8)14-11-28(66-47)43(3,4)59)9-13-45(29,6)46(26,7)16-23(38(42)44)62-41-37(65-40-35(57)30(52)22(50)18-60-40)34(56)32(54)25(64-41)19-61-39-36(58)33(55)31(53)24(17-48)63-39/h20-41,48-59H,9-19H2,1-8H3 |
InChI Key | MGROSLQKCJXSBT-UHFFFAOYSA-N |
Popularity | 4 references in papers |
Molecular Formula | C47H80O19 |
Molecular Weight | 949.10 g/mol |
Exact Mass | 948.52938032 g/mol |
Topological Polar Surface Area (TPSA) | 307.00 Ų |
XlogP | -0.70 |
CHEBI:191508 |
DTXSID401101601 |
156009-82-4 |
2-[[6-[[3,12-dihydroxy-17-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-3,4-dihydroxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
beta-D-Glucopyranoside, (3beta,6alpha,12beta,24S)-20,24-epoxy-3,12,25-trihydroxydammaran-6-yl O-alpha-D-glucopyranosyl-(1-->6)-O-[beta-D-xylopyranosyl-(1-->2)]- |
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 |
---|---|---|---|---|
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.32% | 97.25% |
CHEMBL1914 | P06276 | Butyrylcholinesterase | 98.04% | 95.00% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 98.01% | 96.61% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.78% | 91.11% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 96.56% | 95.93% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.67% | 96.09% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.41% | 97.09% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.14% | 96.77% |
CHEMBL1871 | P10275 | Androgen Receptor | 94.10% | 96.43% |
CHEMBL4302 | P08183 | P-glycoprotein 1 | 93.84% | 92.98% |
CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 93.80% | 100.00% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 93.25% | 95.50% |
CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 92.96% | 95.58% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 92.85% | 97.79% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 91.66% | 96.21% |
CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 90.75% | 89.05% |
CHEMBL259 | P32245 | Melanocortin receptor 4 | 90.26% | 95.38% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.49% | 100.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.62% | 86.33% |
CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 87.86% | 97.33% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.46% | 94.45% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.62% | 95.89% |
CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 85.93% | 96.90% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.63% | 94.00% |
CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 85.55% | 97.86% |
CHEMBL4482 | O96013 | Serine/threonine-protein kinase PAK 4 | 84.46% | 95.42% |
CHEMBL1977 | P11473 | Vitamin D receptor | 83.91% | 99.43% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.27% | 96.95% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.15% | 92.94% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.91% | 94.75% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 81.41% | 97.36% |
CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 81.36% | 94.01% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.21% | 95.89% |
CHEMBL5524 | Q99873 | Protein-arginine N-methyltransferase 1 | 80.73% | 96.67% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.71% | 97.28% |
CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.47% | 92.50% |
CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 80.44% | 99.17% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.36% | 86.92% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.35% | 97.14% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.07% | 100.00% |
CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 80.06% | 80.33% |
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 vietnamensis |
PubChem | 75054976 |
LOTUS | LTS0166291 |
wikiData | Q105163535 |