Soyasaponin V
Internal ID | 582a8ab3-2381-4a9a-955a-26b363cf677b |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Triterpene glycosides > Triterpene saponins |
IUPAC Name | 5-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[[9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]oxane-2-carboxylic acid |
SMILES (Canonical) | CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C |
SMILES (Isomeric) | CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C(C1)O)C)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C |
InChI | InChI=1S/C48H78O19/c1-43(2)16-22-21-8-9-26-45(4)12-11-28(46(5,20-51)25(45)10-13-48(26,7)47(21,6)15-14-44(22,3)27(52)17-43)64-42-38(34(58)33(57)36(65-42)39(60)61)67-41-37(32(56)30(54)24(19-50)63-41)66-40-35(59)31(55)29(53)23(18-49)62-40/h8,22-38,40-42,49-59H,9-20H2,1-7H3,(H,60,61) |
InChI Key | WFRQIKSNAYYUJZ-UHFFFAOYSA-N |
Popularity | 4 references in papers |
Molecular Formula | C48H78O19 |
Molecular Weight | 959.10 g/mol |
Exact Mass | 958.51373025 g/mol |
Topological Polar Surface Area (TPSA) | 315.00 Ų |
XlogP | 1.90 |
5-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[[9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]oxane-2-carboxylic acid |
CHEBI:173138 |
FT-0697344 |
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 | 94.36% | 91.11% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 93.54% | 97.36% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.19% | 96.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.20% | 95.56% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 90.17% | 93.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.67% | 94.45% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.06% | 95.89% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.67% | 97.09% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.19% | 94.33% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.01% | 100.00% |
CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.33% | 92.50% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.22% | 99.17% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.26% | 86.33% |
CHEMBL5028 | O14672 | ADAM10 | 81.99% | 97.50% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.87% | 97.25% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.47% | 95.50% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.39% | 95.50% |
CHEMBL2581 | P07339 | Cathepsin D | 80.41% | 98.95% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.39% | 89.00% |
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.
Phaseolus vulgaris |
PubChem | 15608234 |
LOTUS | LTS0062972 |
wikiData | Q105304134 |