6-[2-(4-Hydroxyphenyl)ethyl]-2-[2-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethyl]-2,3-dihydropyran-4-one
| Internal ID | 3f2d0163-bbc4-4445-a826-6b8484594ae9 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | 6-[2-(4-hydroxyphenyl)ethyl]-2-[2-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethyl]-2,3-dihydropyran-4-one |
| SMILES (Canonical) | C1C(OC(=CC1=O)CCC2=CC=C(C=C2)O)CCC3=CC=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O |
| SMILES (Isomeric) | C1C(OC(=CC1=O)CCC2=CC=C(C=C2)O)CCC3=CC=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O |
| InChI | InChI=1S/C27H32O9/c28-15-23-24(31)25(32)26(33)27(36-23)35-20-9-3-17(4-10-20)6-12-22-14-19(30)13-21(34-22)11-5-16-1-7-18(29)8-2-16/h1-4,7-10,13,22-29,31-33H,5-6,11-12,14-15H2 |
| InChI Key | NEFHWGGVDTWYDH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H32O9 |
| Molecular Weight | 500.50 g/mol |
| Exact Mass | 500.20463259 g/mol |
| Topological Polar Surface Area (TPSA) | 146.00 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of 6-[2-(4-Hydroxyphenyl)ethyl]-2-[2-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethyl]-2,3-dihydropyran-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/8f2f5950-858c-11ee-a151-d14b0af5f879.jpg "2D Structure of 6-[2-(4-Hydroxyphenyl)ethyl]-2-[2-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethyl]-2,3-dihydropyran-4-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.14% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.22% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.65% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 94.44% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.69% | 99.17% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 91.21% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.72% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.62% | 94.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 87.06% | 86.92% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.80% | 90.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.07% | 96.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.97% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.80% | 95.89% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 84.71% | 94.45% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 82.53% | 85.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.31% | 95.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.32% | 100.00% |
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.
| Erica cinerea |
| PubChem | 162969964 |
| LOTUS | LTS0057125 |
| wikiData | Q105177895 |