[3,4,5-Trihydroxy-6-[3-hydroxy-5-[2-(4-hydroxyphenyl)ethenyl]phenoxy]oxan-2-yl]methyl 4-hydroxybenzoate
| Internal ID | 599c865b-6e2d-4e7a-a4b7-a251f6b73763 |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes > Stilbene glycosides |
| IUPAC Name | [3,4,5-trihydroxy-6-[3-hydroxy-5-[2-(4-hydroxyphenyl)ethenyl]phenoxy]oxan-2-yl]methyl 4-hydroxybenzoate |
| SMILES (Canonical) | C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)COC(=O)C4=CC=C(C=C4)O)O)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)COC(=O)C4=CC=C(C=C4)O)O)O)O)O)O |
| InChI | InChI=1S/C27H26O10/c28-18-7-3-15(4-8-18)1-2-16-11-20(30)13-21(12-16)36-27-25(33)24(32)23(31)22(37-27)14-35-26(34)17-5-9-19(29)10-6-17/h1-13,22-25,27-33H,14H2 |
| InChI Key | ASJOHWVDWODOPX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H26O10 |
| Molecular Weight | 510.50 g/mol |
| Exact Mass | 510.15259702 g/mol |
| Topological Polar Surface Area (TPSA) | 166.00 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of [3,4,5-Trihydroxy-6-[3-hydroxy-5-[2-(4-hydroxyphenyl)ethenyl]phenoxy]oxan-2-yl]methyl 4-hydroxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/64728e80-85f5-11ee-bfc4-97e6c6a794f3.jpg "2D Structure of [3,4,5-Trihydroxy-6-[3-hydroxy-5-[2-(4-hydroxyphenyl)ethenyl]phenoxy]oxan-2-yl]methyl 4-hydroxybenzoate")
| 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 | 97.17% | 91.11% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 96.81% | 85.31% |
| CHEMBL3194 | P02766 | Transthyretin | 95.77% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.81% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.30% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.85% | 96.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 91.42% | 95.93% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.58% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.02% | 99.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.04% | 95.89% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.12% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.08% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.32% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.01% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.49% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.29% | 95.89% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 81.99% | 83.57% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 81.80% | 85.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.30% | 95.56% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.05% | 92.50% |
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.
| Aragoa cundinamarcensis |
| Lysidice brevicalyx |
| Plantago major |
| Volkameria inermis |
| PubChem | 162854523 |
| LOTUS | LTS0076965 |
| wikiData | Q105133452 |