3-(4-hydroxyphenyl)-N-[2-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-indol-3-yl]ethyl]prop-2-enamide
| Internal ID | 0d75090d-213f-4bbf-be2b-0f67a9e5018a |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | 3-(4-hydroxyphenyl)-N-[2-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-indol-3-yl]ethyl]prop-2-enamide |
| SMILES (Canonical) | C1=CC(=CC=C1C=CC(=O)NCCC2=CNC3=C2C=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1C=CC(=O)NCCC2=CNC3=C2C=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)O |
| InChI | InChI=1S/C25H28N2O8/c28-13-20-22(31)23(32)24(33)25(35-20)34-17-6-7-19-18(11-17)15(12-27-19)9-10-26-21(30)8-3-14-1-4-16(29)5-2-14/h1-8,11-12,20,22-25,27-29,31-33H,9-10,13H2,(H,26,30) |
| InChI Key | LPGWQGDUKIPAME-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H28N2O8 |
| Molecular Weight | 484.50 g/mol |
| Exact Mass | 484.18456586 g/mol |
| Topological Polar Surface Area (TPSA) | 165.00 Ų |
| XlogP | 1.20 |
| There are no found synonyms. |
![2D Structure of 3-(4-hydroxyphenyl)-N-[2-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-indol-3-yl]ethyl]prop-2-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/4e6add50-851b-11ee-aa0f-0bda0af1a4d9.jpg "2D Structure of 3-(4-hydroxyphenyl)-N-[2-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-indol-3-yl]ethyl]prop-2-enamide")
| 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 | 99.92% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.46% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.34% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.88% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.78% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.03% | 96.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.90% | 98.95% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 91.80% | 94.00% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 91.48% | 89.67% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 90.01% | 98.59% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 89.64% | 91.71% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.74% | 94.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.97% | 90.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 87.83% | 89.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.04% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.00% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.62% | 95.56% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.24% | 95.93% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.14% | 94.73% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 83.34% | 89.44% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.78% | 86.92% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 82.26% | 85.00% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 81.13% | 96.00% |
| CHEMBL3959 | P16083 | Quinone reductase 2 | 80.62% | 89.49% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 80.34% | 85.31% |
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.
| Carthamus tinctorius |
| Ipomoea obscura |
| PubChem | 74949615 |
| LOTUS | LTS0068114 |
| wikiData | Q105155167 |