Sinapoyl spermidine
| Internal ID | 441d7ccc-0551-4a6a-9395-519cae6ff607 |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives |
| IUPAC Name | (E)-N-[4-(3-aminopropylamino)butyl]-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enamide |
| SMILES (Canonical) | COC1=CC(=CC(=C1O)OC)C=CC(=O)NCCCCNCCCN |
| SMILES (Isomeric) | COC1=CC(=CC(=C1O)OC)/C=C/C(=O)NCCCCNCCCN |
| InChI | InChI=1S/C18H29N3O4/c1-24-15-12-14(13-16(25-2)18(15)23)6-7-17(22)21-11-4-3-9-20-10-5-8-19/h6-7,12-13,20,23H,3-5,8-11,19H2,1-2H3,(H,21,22)/b7-6+ |
| InChI Key | ZLDDZZMJRUFHTG-VOTSOKGWSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C18H29N3O4 |
| Molecular Weight | 351.40 g/mol |
| Exact Mass | 351.21580641 g/mol |
| Topological Polar Surface Area (TPSA) | 106.00 Ų |
| XlogP | 0.90 |
| 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 | 99.30% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.40% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 97.53% | 96.00% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 95.61% | 90.24% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.40% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.97% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.94% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.86% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.67% | 94.73% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 86.40% | 90.20% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.86% | 90.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.69% | 90.71% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.57% | 94.33% |
| CHEMBL3194 | P02766 | Transthyretin | 81.52% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.87% | 94.45% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 80.84% | 93.18% |
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.
| Arabidopsis thaliana |
| Brassica oleracea |
| PubChem | 129847081 |
| LOTUS | LTS0167447 |
| wikiData | Q105378850 |