3-[4-[2-(4-Hydroxyphenyl)ethyl]-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid
| Internal ID | 034c8f62-e05d-439f-845c-e422256f81b4 |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes > Stilbene glycosides |
| IUPAC Name | 3-[4-[2-(4-hydroxyphenyl)ethyl]-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid |
| SMILES (Canonical) | C1=CC(=CC=C1CCC2=CC(=C(C=C2)C=CC(=O)O)OC3C(C(C(C(O3)CO)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1CCC2=CC(=C(C=C2)C=CC(=O)O)OC3C(C(C(C(O3)CO)O)O)O)O |
| InChI | InChI=1S/C23H26O9/c24-12-18-20(28)21(29)22(30)23(32-18)31-17-11-14(3-6-15(17)7-10-19(26)27)2-1-13-4-8-16(25)9-5-13/h3-11,18,20-25,28-30H,1-2,12H2,(H,26,27) |
| InChI Key | CMUQJENFIICTQV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H26O9 |
| Molecular Weight | 446.40 g/mol |
| Exact Mass | 446.15768240 g/mol |
| Topological Polar Surface Area (TPSA) | 157.00 Ų |
| XlogP | 1.40 |
| There are no found synonyms. |
![2D Structure of 3-[4-[2-(4-Hydroxyphenyl)ethyl]-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/0cf3c4d0-8560-11ee-80a3-934ca8213262.jpg "2D Structure of 3-[4-[2-(4-Hydroxyphenyl)ethyl]-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid")
| 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 | 98.75% | 91.11% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 95.74% | 86.92% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.42% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.43% | 86.33% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 93.48% | 91.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.44% | 96.09% |
| CHEMBL3194 | P02766 | Transthyretin | 93.24% | 90.71% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 92.98% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.93% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.65% | 89.00% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 88.14% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.82% | 96.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.70% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.34% | 94.73% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 86.64% | 97.36% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.14% | 95.50% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 83.47% | 85.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.85% | 95.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 82.30% | 94.62% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 81.37% | 83.57% |
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.
| Incarvillea mairei |
| PubChem | 162997799 |
| LOTUS | LTS0122791 |
| wikiData | Q104965219 |