N,N'-bis-(p-coumaroyl)spermidine
| Internal ID | 56d4bfcd-5f70-401b-954c-9976fad0cbaf |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives |
| IUPAC Name | (E)-N-[4-[3-aminopropyl-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]butyl]-3-(4-hydroxyphenyl)prop-2-enamide |
| SMILES (Canonical) | C1=CC(=CC=C1C=CC(=O)NCCCCN(CCCN)C(=O)C=CC2=CC=C(C=C2)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1/C=C/C(=O)NCCCCN(CCCN)C(=O)/C=C/C2=CC=C(C=C2)O)O |
| InChI | InChI=1S/C25H31N3O4/c26-16-3-19-28(25(32)15-9-21-6-12-23(30)13-7-21)18-2-1-17-27-24(31)14-8-20-4-10-22(29)11-5-20/h4-15,29-30H,1-3,16-19,26H2,(H,27,31)/b14-8+,15-9+ |
| InChI Key | MBTWTUUEUCILMG-VOMDNODZSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C25H31N3O4 |
| Molecular Weight | 437.50 g/mol |
| Exact Mass | 437.23145648 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 2.60 |
| 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 | 97.70% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.94% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.99% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.90% | 99.17% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 91.24% | 90.24% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.71% | 96.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.98% | 83.82% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 87.90% | 89.67% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.30% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.85% | 95.56% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 85.66% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.08% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.41% | 94.73% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 83.99% | 85.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.29% | 86.33% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 82.74% | 93.10% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.08% | 90.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 80.09% | 100.00% |
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.
| Aphelandra chamissoniana |
| PubChem | 15270793 |
| LOTUS | LTS0118356 |
| wikiData | Q105160955 |