Tri-p-coumaroylspermidine
| Internal ID | 1f1c1481-f0d5-44c9-a322-d48c1277174f |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives |
| IUPAC Name | (E)-N-[(E)-7-(3-aminopropylamino)-1-(4-hydroxyphenyl)-3-oxohept-1-en-4-yl]-3-(4-hydroxyphenyl)-N-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]prop-2-enamide |
| SMILES (Canonical) | C1=CC(=CC=C1C=CC(=O)C(CCCNCCCN)N(C(=O)C=CC2=CC=C(C=C2)O)C(=O)C=CC3=CC=C(C=C3)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1/C=C/C(=O)C(N(C(=O)/C=C/C2=CC=C(C=C2)O)C(=O)/C=C/C3=CC=C(C=C3)O)CCCNCCCN)O |
| InChI | InChI=1S/C34H37N3O6/c35-22-2-24-36-23-1-3-31(32(41)19-10-25-4-13-28(38)14-5-25)37(33(42)20-11-26-6-15-29(39)16-7-26)34(43)21-12-27-8-17-30(40)18-9-27/h4-21,31,36,38-40H,1-3,22-24,35H2/b19-10+,20-11+,21-12+ |
| InChI Key | ANNWHZVJHRKQKH-AUCPOXKISA-N |
| Popularity | 16 references in papers |
| Molecular Formula | C34H37N3O6 |
| Molecular Weight | 583.70 g/mol |
| Exact Mass | 583.26823591 g/mol |
| Topological Polar Surface Area (TPSA) | 153.00 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
| 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 | 97.68% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.97% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.81% | 99.17% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 92.93% | 85.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.42% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.58% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.56% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.02% | 94.73% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 88.34% | 89.67% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.48% | 100.00% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 85.23% | 97.23% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 84.08% | 100.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 83.45% | 100.00% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 83.43% | 90.24% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.32% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.23% | 86.33% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 80.12% | 91.38% |
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.
| Fragaria × ananassa |
| PubChem | 129669148 |
| LOTUS | LTS0066320 |
| wikiData | Q104915308 |