5-(Hydroxymethyl)-4-(methoxymethyl)-2-methyl-3-pyridinyl hexopyranoside
| Internal ID | 8b43f891-406f-45a8-8a4d-315be618affc |
| Taxonomy | Organoheterocyclic compounds > Pyridines and derivatives > Pyridoxines |
| IUPAC Name | 2-(hydroxymethyl)-6-[5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-yl]oxyoxane-3,4,5-triol |
| SMILES (Canonical) | CC1=NC=C(C(=C1OC2C(C(C(C(O2)CO)O)O)O)COC)CO |
| SMILES (Isomeric) | CC1=NC=C(C(=C1OC2C(C(C(C(O2)CO)O)O)O)COC)CO |
| InChI | InChI=1S/C15H23NO8/c1-7-14(9(6-22-2)8(4-17)3-16-7)24-15-13(21)12(20)11(19)10(5-18)23-15/h3,10-13,15,17-21H,4-6H2,1-2H3 |
| InChI Key | OZAMFSFIKVSAHM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H23NO8 |
| Molecular Weight | 345.34 g/mol |
| Exact Mass | 345.14236669 g/mol |
| Topological Polar Surface Area (TPSA) | 142.00 Ų |
| XlogP | -2.10 |
| CHEMBL2004215 |
| 5-(Hydroxymethyl)-4-(methoxymethyl)-2-methyl-3-pyridinyl hexopyranoside |
| NSC-638029 |
| NCI60_012651 |
| 2-(hydroxymethyl)-6-[[5-(hydroxymethyl)-4-(methoxymethyl)-2-methyl-3-pyridyl]oxy]tetrahydropyran-3,4,5-triol |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.27% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.34% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.63% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.51% | 94.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.25% | 91.11% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 91.86% | 97.36% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.13% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.51% | 96.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 84.32% | 93.10% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.38% | 97.09% |
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.
| Albizia julibrissin |
| PubChem | 367862 |
| LOTUS | LTS0192323 |
| wikiData | Q105203649 |