Canavalioside
| Internal ID | 97beaa3e-ca9f-4485-94e0-f69b3e635d88 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Diterpene glycosides |
| IUPAC Name | 2,3,13,14-tetrahydroxy-5,9-dimethyl-14-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid |
| SMILES (Canonical) | CC12CCCC(C1C(C(C34C2CCC(C3)(C(C4)(COC5C(C(C(C(O5)CO)O)O)O)O)O)O)O)(C)C(=O)O |
| SMILES (Isomeric) | CC12CCCC(C1C(C(C34C2CCC(C3)(C(C4)(COC5C(C(C(C(O5)CO)O)O)O)O)O)O)O)(C)C(=O)O |
| InChI | InChI=1S/C26H42O12/c1-22-5-3-6-23(2,21(33)34)18(22)17(31)19(32)24-9-25(35,7-4-13(22)24)26(36,10-24)11-37-20-16(30)15(29)14(28)12(8-27)38-20/h12-20,27-32,35-36H,3-11H2,1-2H3,(H,33,34) |
| InChI Key | HVFLAHBPOQXZBM-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C26H42O12 |
| Molecular Weight | 546.60 g/mol |
| Exact Mass | 546.26762677 g/mol |
| Topological Polar Surface Area (TPSA) | 218.00 Ų |
| XlogP | -1.70 |
| CHEBI:168386 |
| 2,3,13,14-tetrahydroxy-5,9-dimethyl-14-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]tetracyclo[11.2.1.01,10.04,9]hexadecane-5-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 | 97.62% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.61% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.58% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.77% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.85% | 97.25% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 87.38% | 92.50% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.79% | 95.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.35% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.38% | 86.33% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.22% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 81.99% | 97.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.85% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.03% | 100.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.29% | 96.21% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.24% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.23% | 95.89% |
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.
| Canavalia gladiata |
| PubChem | 73107437 |
| LOTUS | LTS0271268 |
| wikiData | Q105034227 |