(2R)-1-[4-(3-hydroxyprop-1-enyl)phenoxy]-3-methylbutane-2,3-diol
| Internal ID | 326e4213-c968-41ca-a0ee-c402d5020f2f |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamyl alcohols |
| IUPAC Name | (2R)-1-[4-(3-hydroxyprop-1-enyl)phenoxy]-3-methylbutane-2,3-diol |
| SMILES (Canonical) | CC(C)(C(COC1=CC=C(C=C1)C=CCO)O)O |
| SMILES (Isomeric) | CC(C)([C@@H](COC1=CC=C(C=C1)C=CCO)O)O |
| InChI | InChI=1S/C14H20O4/c1-14(2,17)13(16)10-18-12-7-5-11(6-8-12)4-3-9-15/h3-8,13,15-17H,9-10H2,1-2H3/t13-/m1/s1 |
| InChI Key | HKPJLHUCTVFEFJ-CYBMUJFWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H20O4 |
| Molecular Weight | 252.31 g/mol |
| Exact Mass | 252.13615911 g/mol |
| Topological Polar Surface Area (TPSA) | 69.90 Ų |
| XlogP | 1.00 |
| There are no found synonyms. |
![2D Structure of (2R)-1-[4-(3-hydroxyprop-1-enyl)phenoxy]-3-methylbutane-2,3-diol](https://plantaedb.com/storage/docs/compounds/2023/11/2r-1-4-3-hydroxyprop-1-enylphenoxy-3-methylbutane-23-diol.jpg "2D Structure of (2R)-1-[4-(3-hydroxyprop-1-enyl)phenoxy]-3-methylbutane-2,3-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 |
|---|---|---|---|---|
| CHEMBL2039 | P27338 | Monoamine oxidase B | 98.89% | 92.51% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.12% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.51% | 96.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.32% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.53% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.35% | 86.33% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 89.19% | 96.12% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 88.91% | 97.29% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.40% | 94.73% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 87.67% | 93.31% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.46% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.83% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.68% | 95.56% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 84.79% | 92.68% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 82.51% | 89.34% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.04% | 92.88% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.97% | 91.71% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 81.91% | 86.92% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 80.46% | 94.97% |
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.
| Zanthoxylum integrifoliolum |
| PubChem | 162844930 |
| LOTUS | LTS0090627 |
| wikiData | Q105029846 |