Licoagroside B (Not validated)
| Internal ID | 4ab08938-7666-494f-8d29-4ff81a8ed21e |
| Taxonomy | Lipids and lipid-like molecules > Saccharolipids |
| IUPAC Name | 3-hydroxy-3-methyl-5-oxo-5-[[3,4,5-trihydroxy-6-(2-methyl-4-oxopyran-3-yl)oxyoxan-2-yl]methoxy]pentanoic acid |
| SMILES (Canonical) | CC1=C(C(=O)C=CO1)OC2C(C(C(C(O2)COC(=O)CC(C)(CC(=O)O)O)O)O)O |
| SMILES (Isomeric) | CC1=C(C(=O)C=CO1)OC2C(C(C(C(O2)COC(=O)CC(C)(CC(=O)O)O)O)O)O |
| InChI | InChI=1S/C18H24O12/c1-8-16(9(19)3-4-27-8)30-17-15(25)14(24)13(23)10(29-17)7-28-12(22)6-18(2,26)5-11(20)21/h3-4,10,13-15,17,23-26H,5-7H2,1-2H3,(H,20,21) |
| InChI Key | WCVUIHQUPRXYKT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H24O12 |
| Molecular Weight | 432.40 g/mol |
| Exact Mass | 432.12677620 g/mol |
| Topological Polar Surface Area (TPSA) | 189.00 Ų |
| XlogP | -2.40 |
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.26% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.42% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.84% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.64% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.01% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.92% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.32% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.95% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.75% | 89.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.54% | 83.82% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 85.51% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.73% | 96.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.26% | 91.49% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.36% | 94.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.19% | 97.25% |
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.
| Glycyrrhiza glabra |
| Helichrysum arenarium |
| PubChem | 73880679 |
| LOTUS | LTS0199957 |
| wikiData | Q105302125 |