Hyemaloside B
| Internal ID | 561705e8-f5f4-4e9d-89c5-72b04b3b1ca0 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | [(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-[(4-hydroxybenzoyl)oxymethyl]-2-(4-hydroxyphenoxy)oxan-3-yl] 3,4,5-trihydroxybenzoate |
| SMILES (Canonical) | C1=CC(=CC=C1C(=O)OCC2C(C(C(C(O2)OC3=CC=C(C=C3)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC=C(C=C3)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)O |
| InChI | InChI=1S/C26H24O13/c27-14-3-1-12(2-4-14)24(34)36-11-19-21(32)22(33)23(26(38-19)37-16-7-5-15(28)6-8-16)39-25(35)13-9-17(29)20(31)18(30)10-13/h1-10,19,21-23,26-33H,11H2/t19-,21-,22+,23-,26-/m1/s1 |
| InChI Key | LIANLIDDEFJTSX-XZWSAFPPSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C26H24O13 |
| Molecular Weight | 544.50 g/mol |
| Exact Mass | 544.12169082 g/mol |
| Topological Polar Surface Area (TPSA) | 213.00 Ų |
| XlogP | 1.90 |
| CHEMBL498793 |
| [(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-[(4-hydroxybenzoyl)oxymethyl]-2-(4-hydroxyphenoxy)oxan-3-yl] 3,4,5-trihydroxybenzoate |
| NCGC00386014-01![(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-[(4-hydroxybenzoyl)oxymethyl]-2-(4-hydroxyphenoxy)oxan-3-yl] 3,4,5-trihydroxybenzoate |
| 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 | 99.09% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.80% | 91.49% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 97.31% | 95.64% |
| CHEMBL3194 | P02766 | Transthyretin | 95.45% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.01% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 94.15% | 90.00% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 92.73% | 83.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.97% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.20% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.81% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.40% | 94.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.33% | 95.93% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.11% | 94.73% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.96% | 97.21% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 86.95% | 95.17% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 86.74% | 94.00% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 86.69% | 83.57% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.38% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.80% | 89.00% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 85.43% | 85.31% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.93% | 95.89% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.82% | 96.95% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 84.51% | 85.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.45% | 92.50% |
| CHEMBL3891 | P07384 | Calpain 1 | 82.40% | 93.04% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.48% | 91.07% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.04% | 98.95% |
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.
| Eugenia hyemalis |
| PubChem | 25110931 |
| LOTUS | LTS0131997 |
| wikiData | Q105152095 |