N-(4-aminobutyl)-3-[4-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enamide
| Internal ID | a7c59c28-cb71-419a-ae95-cf4c129474e7 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | N-(4-aminobutyl)-3-[4-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enamide |
| SMILES (Canonical) | C1=CC(=C(C=C1C=CC(=O)NCCCCN)OC2C(C(C(C(O2)CO)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=C(C=C1C=CC(=O)NCCCCN)OC2C(C(C(C(O2)CO)O)O)O)O |
| InChI | InChI=1S/C19H28N2O8/c20-7-1-2-8-21-15(24)6-4-11-3-5-12(23)13(9-11)28-19-18(27)17(26)16(25)14(10-22)29-19/h3-6,9,14,16-19,22-23,25-27H,1-2,7-8,10,20H2,(H,21,24) |
| InChI Key | VPIJTWRICRFDFB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H28N2O8 |
| Molecular Weight | 412.40 g/mol |
| Exact Mass | 412.18456586 g/mol |
| Topological Polar Surface Area (TPSA) | 175.00 Ų |
| XlogP | -1.10 |
| There are no found synonyms. |
![2D Structure of N-(4-aminobutyl)-3-[4-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enamide](https://plantaedb.com/storage/docs/compounds/2023/11/2785a2b0-859c-11ee-9643-81a80fb19f69.jpg "2D Structure of N-(4-aminobutyl)-3-[4-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]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 | 99.90% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 96.49% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.25% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.70% | 99.17% |
| CHEMBL3194 | P02766 | Transthyretin | 92.57% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.10% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.78% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.96% | 86.33% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 88.22% | 90.24% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.58% | 98.95% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.93% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.84% | 97.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.70% | 90.71% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.63% | 89.62% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 84.16% | 85.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.98% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.72% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.80% | 90.00% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 81.39% | 93.18% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 81.01% | 96.00% |
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.
| Selaginella moellendorffii |
| PubChem | 75581962 |
| LOTUS | LTS0116867 |
| wikiData | Q105290803 |