3beta-(beta-D-glucopyranosyloxy)olean-12-ene-23,28,30-trioic acid
| Internal ID | efb9be70-d695-4404-a068-2a0adfe6b00f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Triterpene glycosides > Triterpene saponins |
| IUPAC Name | (2S,4aR,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-2,6a,6b,9,12a-pentamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a,9-tricarboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H54O12/c1-31(28(41)42)12-14-36(30(45)46)15-13-33(3)18(19(36)16-31)6-7-21-32(2)10-9-23(35(5,29(43)44)22(32)8-11-34(21,33)4)48-27-26(40)25(39)24(38)20(17-37)47-27/h6,19-27,37-40H,7-17H2,1-5H3,(H,41,42)(H,43,44)(H,45,46)/t19-,20+,21+,22+,23-,24+,25-,26+,27-,31-,32+,33+,34+,35-,36-/m0/s1 |
| InChI Key | XKEWZDPNBGRTEL-SFBVZPQOSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C36H54O12 |
| Molecular Weight | 678.80 g/mol |
| Exact Mass | 678.36152715 g/mol |
| Topological Polar Surface Area (TPSA) | 211.00 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.57% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.10% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.52% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.81% | 94.45% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 86.23% | 97.36% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.91% | 95.56% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 85.43% | 96.21% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.56% | 92.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.32% | 95.89% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.64% | 93.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.12% | 90.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.78% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.62% | 99.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.20% | 100.00% |
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.
| There are no matching plants. |
| PubChem | 146682840 |
| LOTUS | LTS0130956 |
| wikiData | Q105329452 |