2-[2-Hydroxy-4-(4-hydroxyphenyl)butyl]-2,3-dihydropyran-6-one
| Internal ID | 72da92ab-1d8d-49fb-aaed-ca15599b317a |
| Taxonomy | Organoheterocyclic compounds > Pyrans > Pyranones and derivatives > Dihydropyranones |
| IUPAC Name | 2-[2-hydroxy-4-(4-hydroxyphenyl)butyl]-2,3-dihydropyran-6-one |
| SMILES (Canonical) | C1C=CC(=O)OC1CC(CCC2=CC=C(C=C2)O)O |
| SMILES (Isomeric) | C1C=CC(=O)OC1CC(CCC2=CC=C(C=C2)O)O |
| InChI | InChI=1S/C15H18O4/c16-12-7-4-11(5-8-12)6-9-13(17)10-14-2-1-3-15(18)19-14/h1,3-5,7-8,13-14,16-17H,2,6,9-10H2 |
| InChI Key | ILSJICRXKSNXIV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H18O4 |
| Molecular Weight | 262.30 g/mol |
| Exact Mass | 262.12050905 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of 2-[2-Hydroxy-4-(4-hydroxyphenyl)butyl]-2,3-dihydropyran-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/2-2-hydroxy-4-4-hydroxyphenylbutyl-23-dihydropyran-6-one.jpg "2D Structure of 2-[2-Hydroxy-4-(4-hydroxyphenyl)butyl]-2,3-dihydropyran-6-one")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 95.20% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.28% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.48% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.79% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.60% | 97.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.43% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.65% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.59% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.26% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.59% | 90.71% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 85.54% | 95.00% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 83.72% | 85.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.55% | 95.89% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 82.23% | 96.37% |
| CHEMBL233 | P35372 | Mu opioid receptor | 81.44% | 97.93% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.23% | 94.73% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 80.03% | 94.00% |
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.
| Agelanthus dodonaeifolius |
| PubChem | 162900897 |
| LOTUS | LTS0175858 |
| wikiData | Q105115439 |