Oleanolic acid-3-O-beta-D-glucopyranosyl (1-->2)-alpha-L-arabinopyranoside
| Internal ID | 25104f32-3ed5-4134-9cdb-6421f9d46a48 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 10-[4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| SMILES (Canonical) | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(CO6)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)C2C1)C)C(=O)O)C |
| SMILES (Isomeric) | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(CO6)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)C2C1)C)C(=O)O)C |
| InChI | InChI=1S/C41H66O12/c1-36(2)14-16-41(35(48)49)17-15-39(6)21(22(41)18-36)8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-40(26,39)7)52-34-32(28(44)23(43)20-50-34)53-33-31(47)30(46)29(45)24(19-42)51-33/h8,22-34,42-47H,9-20H2,1-7H3,(H,48,49) |
| InChI Key | GXWUEMSASMVWKO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C41H66O12 |
| Molecular Weight | 751.00 g/mol |
| Exact Mass | 750.45542754 g/mol |
| Topological Polar Surface Area (TPSA) | 196.00 Ų |
| XlogP | 4.40 |
| 60213-69-6 |
| 3-((2-O-Hexopyranosylpentopyranosyl)oxy)olean-12-en-28-oic acid |
| PD117841 |
| Oleanolic acid-3-O-beta-D-glucopyranosyl(1?2)-alpha-L-arabinopyranoside |
| 10-[4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| 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 | 96.62% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.01% | 96.09% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 94.88% | 95.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.96% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.11% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.31% | 95.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.75% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.68% | 98.95% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 85.33% | 97.36% |
| CHEMBL5028 | O14672 | ADAM10 | 82.87% | 97.50% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.85% | 92.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.59% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.28% | 95.89% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.20% | 90.17% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.89% | 96.21% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.34% | 99.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.18% | 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.
| Akebia trifoliata |
| Caulophyllum thalictroides |
| Cussonia paniculata |
| Fatsia japonica |
| Lonicera japonica |
| Lonicera nigra |
| Pithecellobium dulce |
| Tetrapanax papyrifer |
| PubChem | 494511 |
| LOTUS | LTS0220377 |
| wikiData | Q105023445 |