4-Phenyl-9-(3-phenylprop-2-enoyl)-1,5,9-triazacyclotridec-12-en-2-one
| Internal ID | 5d6a6e17-accd-4028-a1d7-f5c5082cd7b7 |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives |
| IUPAC Name | 4-phenyl-9-(3-phenylprop-2-enoyl)-1,5,9-triazacyclotridec-12-en-2-one |
| SMILES (Canonical) | C1CNC(CC(=O)NC=CCCN(C1)C(=O)C=CC2=CC=CC=C2)C3=CC=CC=C3 |
| SMILES (Isomeric) | C1CNC(CC(=O)NC=CCCN(C1)C(=O)C=CC2=CC=CC=C2)C3=CC=CC=C3 |
| InChI | InChI=1S/C25H29N3O2/c29-24-20-23(22-12-5-2-6-13-22)26-17-9-19-28(18-8-7-16-27-24)25(30)15-14-21-10-3-1-4-11-21/h1-7,10-16,23,26H,8-9,17-20H2,(H,27,29) |
| InChI Key | AORCSZCLPCSPAQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H29N3O2 |
| Molecular Weight | 403.50 g/mol |
| Exact Mass | 403.22597718 g/mol |
| Topological Polar Surface Area (TPSA) | 61.40 Ų |
| XlogP | 3.00 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.84% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.79% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.48% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.48% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.96% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.48% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.28% | 99.23% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.41% | 93.00% |
| CHEMBL5028 | O14672 | ADAM10 | 86.10% | 97.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.39% | 90.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.97% | 93.99% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.70% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.14% | 96.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.30% | 95.89% |
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.
| Peripterygia marginata |
| PubChem | 72747911 |
| LOTUS | LTS0080152 |
| wikiData | Q104915900 |