Nyasoside
| Internal ID | d4dddb51-87a6-44dc-8093-98524e7a361d |
| Taxonomy | Lignans, neolignans and related compounds > Lignan glycosides |
| IUPAC Name | 2-(hydroxymethyl)-6-[4-[(1Z)-3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]penta-1,4-dienyl]phenoxy]oxane-3,4,5-triol |
| SMILES (Canonical) | C=CC(C=CC1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)C3=CC=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O |
| SMILES (Isomeric) | C=CC(/C=C\C1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)C3=CC=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O |
| InChI | InChI=1S/C29H36O12/c1-2-16(17-7-11-19(12-8-17)39-29-27(37)25(35)23(33)21(14-31)41-29)6-3-15-4-9-18(10-5-15)38-28-26(36)24(34)22(32)20(13-30)40-28/h2-12,16,20-37H,1,13-14H2/b6-3- |
| InChI Key | AROSPRRPXMWTNY-UTCJRWHESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H36O12 |
| Molecular Weight | 576.60 g/mol |
| Exact Mass | 576.22067658 g/mol |
| Topological Polar Surface Area (TPSA) | 199.00 Ų |
| XlogP | 0.80 |
| NSC603099 |
| NSC-603099 |
| 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 | 98.27% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.33% | 96.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 93.33% | 95.93% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.39% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.20% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.45% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.65% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.39% | 95.89% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 84.24% | 86.92% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 83.92% | 89.67% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.84% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.63% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.66% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.37% | 90.00% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 80.36% | 92.32% |
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.
| Hypoxis angustifolia |
| Hypoxis nyasica |
| Hypoxis obtusa |
| PubChem | 5459006 |
| LOTUS | LTS0194478 |
| wikiData | Q104391239 |