5-[(2R)-2-(hydroxymethyl)-2-methylchromen-6-yl]-3-methoxybenzene-1,2-diol
| Internal ID | aaa1c476-2459-40be-88fc-b523dd27d6d1 |
| Taxonomy | Benzenoids > Phenols > Methoxyphenols |
| IUPAC Name | 5-[(2R)-2-(hydroxymethyl)-2-methylchromen-6-yl]-3-methoxybenzene-1,2-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H18O5/c1-18(10-19)6-5-12-7-11(3-4-15(12)23-18)13-8-14(20)17(21)16(9-13)22-2/h3-9,19-21H,10H2,1-2H3/t18-/m1/s1 |
| InChI Key | PYBVCMOUSOSDMJ-GOSISDBHSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C18H18O5 |
| Molecular Weight | 314.30 g/mol |
| Exact Mass | 314.11542367 g/mol |
| Topological Polar Surface Area (TPSA) | 79.20 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of 5-[(2R)-2-(hydroxymethyl)-2-methylchromen-6-yl]-3-methoxybenzene-1,2-diol](https://plantaedb.com/storage/docs/compounds/2023/11/5-2r-2-hydroxymethyl-2-methylchromen-6-yl-3-methoxybenzene-12-diol.jpg "2D Structure of 5-[(2R)-2-(hydroxymethyl)-2-methylchromen-6-yl]-3-methoxybenzene-1,2-diol")
| 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 | 98.24% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.91% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.46% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.00% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.67% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.09% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.67% | 98.95% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 90.61% | 90.20% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.59% | 99.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.33% | 92.62% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.01% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.81% | 89.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.24% | 92.94% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 85.49% | 86.92% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.37% | 96.00% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 84.57% | 95.78% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 84.22% | 98.11% |
| CHEMBL240 | Q12809 | HERG | 82.96% | 89.76% |
| CHEMBL2424 | Q04760 | Glyoxalase I | 82.50% | 91.67% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.13% | 90.00% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 81.23% | 90.24% |
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.
| Garcinia kola |
| PubChem | 163046064 |
| LOTUS | LTS0203863 |
| wikiData | Q105216505 |