4,4''-bis(N-feruloyl)serotonin
| Internal ID | e2dcda34-9bef-458e-ab1d-763b72e0e7b6 |
| Taxonomy | Benzenoids > Phenols > Methoxyphenols |
| IUPAC Name | (E)-N-[2-[5-hydroxy-4-[5-hydroxy-3-[2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]ethyl]-1H-indol-4-yl]-1H-indol-3-yl]ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C=CC(=O)NCCC2=CNC3=C2C(=C(C=C3)O)C4=C(C=CC5=C4C(=CN5)CCNC(=O)C=CC6=CC(=C(C=C6)O)OC)O)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)/C=C/C(=O)NCCC2=CNC3=C2C(=C(C=C3)O)C4=C(C=CC5=C4C(=CN5)CCNC(=O)/C=C/C6=CC(=C(C=C6)O)OC)O)O |
| InChI | InChI=1S/C40H38N4O8/c1-51-33-19-23(3-9-29(33)45)5-13-35(49)41-17-15-25-21-43-27-7-11-31(47)39(37(25)27)40-32(48)12-8-28-38(40)26(22-44-28)16-18-42-36(50)14-6-24-4-10-30(46)34(20-24)52-2/h3-14,19-22,43-48H,15-18H2,1-2H3,(H,41,49)(H,42,50)/b13-5+,14-6+ |
| InChI Key | URHRFQQPWDNDQE-ACFHMISVSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C40H38N4O8 |
| Molecular Weight | 702.70 g/mol |
| Exact Mass | 702.26896418 g/mol |
| Topological Polar Surface Area (TPSA) | 189.00 Ų |
| XlogP | 5.60 |
| 4,4'-Bis(N-feruloyl)serotonin |
| CHEMBL4206909 |
| (p-chlorophenyl)-Sulfamoyl azide |
| (4-chlorophenyl)-Sulfamoyl azide |
| CHEBI:184799 |
| DTXSID201307899 |
| 175702-03-1 |
| Sulfamoyl azide, (4-chlorophenyl)- (9CI) |
| 4,4''-Bi[N-(4-hydroxy-3-methoxycinnamoyl)serotonin] |
| (2E)-3-(4-hydroxy-3-methoxyphenyl)-N-{2-[5-hydroxy-4-(5-hydroxy-3-{2-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamido]ethyl}-1H-indol-4-yl)-1H-indol-3-yl]ethyl}prop-2-enamide |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 99.79% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.66% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.93% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.97% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.70% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.74% | 98.95% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 92.26% | 89.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.25% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.07% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.96% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.07% | 95.56% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 88.88% | 90.20% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 88.53% | 98.59% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.33% | 99.17% |
| CHEMBL3194 | P02766 | Transthyretin | 88.06% | 90.71% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 85.06% | 95.00% |
| CHEMBL4630 | O14757 | Serine/threonine-protein kinase Chk1 | 84.44% | 97.03% |
| CHEMBL3788 | O00444 | Serine/threonine-protein kinase PLK4 | 83.28% | 83.65% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.17% | 94.75% |
| CHEMBL1287628 | Q9Y5S8 | NADPH oxidase 1 | 81.42% | 95.48% |
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 |
| PubChem | 10484893 |
| LOTUS | LTS0220267 |
| wikiData | Q76415737 |