Gynosaponin TN2
| Internal ID | b17b8697-7dd6-44d8-a1d4-abfabf52aa18 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S)-6-methyl-2-[(2R,3R,5R,8R,9R,10R,12R,13R,14R,17S)-2,3,12-trihydroxy-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]hept-5-en-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol |
| SMILES (Canonical) | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC(C)(CCC=C(C)C)C3CCC4(C3C(CC5C4(CCC6C5(CC(C(C6(C)C)O)O)C)C)O)C)O)O)O)O)O)O |
| SMILES (Isomeric) | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@@](C)(CCC=C(C)C)[C@H]3CC[C@@]4([C@@H]3[C@@H](C[C@H]5[C@]4(CC[C@@H]6[C@@]5(C[C@H]([C@@H](C6(C)C)O)O)C)C)O)C)O)O)O)O)O)O |
| InChI | InChI=1S/C42H72O13/c1-20(2)11-10-14-42(9,55-37-34(50)32(48)30(46)25(54-37)19-52-36-33(49)31(47)29(45)21(3)53-36)22-12-15-41(8)28(22)23(43)17-27-39(6)18-24(44)35(51)38(4,5)26(39)13-16-40(27,41)7/h11,21-37,43-51H,10,12-19H2,1-9H3/t21-,22-,23+,24+,25+,26-,27+,28-,29-,30+,31+,32-,33+,34+,35-,36+,37-,39-,40+,41+,42-/m0/s1 |
| InChI Key | UWUZNWOONZAPGM-ZCSYAMIWSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C42H72O13 |
| Molecular Weight | 785.00 g/mol |
| Exact Mass | 784.49729235 g/mol |
| Topological Polar Surface Area (TPSA) | 219.00 Ų |
| XlogP | 3.00 |
| 77658-95-8 |
| FS-8412 |
| 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 | 99.28% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.48% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.46% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.40% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.34% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.49% | 92.94% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 91.18% | 97.36% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.97% | 91.49% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.70% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.39% | 82.69% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.23% | 95.89% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.93% | 96.61% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.19% | 95.93% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.69% | 95.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.38% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.30% | 98.95% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.81% | 100.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.64% | 96.90% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.20% | 94.75% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 81.72% | 95.38% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.22% | 97.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.42% | 94.73% |
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.
| Gymnema sylvestre |
| Gynostemma pentaphyllum |
| PubChem | 122397431 |
| LOTUS | LTS0217056 |
| wikiData | Q105280561 |