N1,N5,N10-Tri-p-coumaroylspermidine
| Internal ID | 0828c9e1-7721-4f12-8337-6efdd06eef9c |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives |
| IUPAC Name | 3-(4-hydroxyphenyl)-N-[4-[3-(4-hydroxyphenyl)prop-2-enoyl-[3-[3-(4-hydroxyphenyl)prop-2-enoylamino]propyl]amino]butyl]prop-2-enamide |
| SMILES (Canonical) | C1=CC(=CC=C1C=CC(=O)NCCCCN(CCCNC(=O)C=CC2=CC=C(C=C2)O)C(=O)C=CC3=CC=C(C=C3)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1C=CC(=O)NCCCCN(CCCNC(=O)C=CC2=CC=C(C=C2)O)C(=O)C=CC3=CC=C(C=C3)O)O |
| InChI | InChI=1S/C34H37N3O6/c38-29-13-4-26(5-14-29)10-19-32(41)35-22-1-2-24-37(34(43)21-12-28-8-17-31(40)18-9-28)25-3-23-36-33(42)20-11-27-6-15-30(39)16-7-27/h4-21,38-40H,1-3,22-25H2,(H,35,41)(H,36,42) |
| InChI Key | PFDVWJCSCYDRMZ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C34H37N3O6 |
| Molecular Weight | 583.70 g/mol |
| Exact Mass | 583.26823591 g/mol |
| Topological Polar Surface Area (TPSA) | 139.00 Ų |
| XlogP | 4.60 |
| 3-(4-Hydroxyphenyl)-N-[4-[3-(4-hydroxyphenyl)prop-2-enoyl-[3-[3-(4-hydroxyphenyl)prop-2-enoylamino]propyl]amino]butyl]prop-2-enamide |
| 131086-78-7 |
| DTXSID201347348 |
| B2703-238193 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.55% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.96% | 91.11% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 91.98% | 89.67% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.34% | 99.17% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 91.02% | 85.31% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.77% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.20% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.23% | 96.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 85.29% | 93.10% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.56% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.07% | 94.73% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 83.02% | 96.67% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.94% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.84% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.78% | 95.56% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 81.71% | 100.00% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 80.58% | 89.33% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.28% | 86.33% |
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.
| Aphelandra chamissoniana |
| Arachis hypogaea |
| Coleogyne ramosissima |
| Quercus dentata |
| PubChem | 72739177 |
| LOTUS | LTS0099435 |
| wikiData | Q105207680 |