4-[Hydroxy(methoxy)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
| Internal ID | 1cb0da75-27f6-44b2-8036-c6c23f607940 |
| Taxonomy | Organoheterocyclic compounds > Pyridines and derivatives > Pyridoxines |
| IUPAC Name | 4-[hydroxy(methoxy)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol |
| SMILES (Canonical) | CC1=NC=C(C(=C1O)C(O)OC)CO |
| SMILES (Isomeric) | CC1=NC=C(C(=C1O)C(O)OC)CO |
| InChI | InChI=1S/C9H13NO4/c1-5-8(12)7(9(13)14-2)6(4-11)3-10-5/h3,9,11-13H,4H2,1-2H3 |
| InChI Key | UMXCNTAFJHRJRE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C9H13NO4 |
| Molecular Weight | 199.20 g/mol |
| Exact Mass | 199.08445790 g/mol |
| Topological Polar Surface Area (TPSA) | 82.80 Ų |
| XlogP | -0.30 |
| There are no found synonyms. |
![2D Structure of 4-[Hydroxy(methoxy)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol](https://plantaedb.com/storage/docs/compounds/2023/11/4-hydroxymethoxymethyl-5-hydroxymethyl-2-methylpyridin-3-ol.jpg "2D Structure of 4-[Hydroxy(methoxy)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol")
| 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 | 96.09% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.97% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.83% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.39% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.44% | 94.73% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 86.27% | 93.10% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.19% | 99.17% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 83.78% | 87.45% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.52% | 99.15% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.49% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.32% | 90.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.97% | 96.00% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 80.61% | 93.65% |
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.
| Ginkgo biloba |
| PubChem | 134403 |
| LOTUS | LTS0233242 |
| wikiData | Q105275797 |