3-Hydroxy-2-phenyl-9-(3-phenylprop-2-enoyl)-1,5,9-triazacyclotridecan-4-one
| Internal ID | 1da98fb0-3a5d-4b51-a862-93137d9049a6 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolactams |
| IUPAC Name | 3-hydroxy-2-phenyl-9-(3-phenylprop-2-enoyl)-1,5,9-triazacyclotridecan-4-one |
| SMILES (Canonical) | C1CCN(CCCNC(=O)C(C(NC1)C2=CC=CC=C2)O)C(=O)C=CC3=CC=CC=C3 |
| SMILES (Isomeric) | C1CCN(CCCNC(=O)C(C(NC1)C2=CC=CC=C2)O)C(=O)C=CC3=CC=CC=C3 |
| InChI | InChI=1S/C25H31N3O3/c29-22(15-14-20-10-3-1-4-11-20)28-18-8-7-16-26-23(21-12-5-2-6-13-21)24(30)25(31)27-17-9-19-28/h1-6,10-15,23-24,26,30H,7-9,16-19H2,(H,27,31) |
| InChI Key | FEFXJQOBIJQEHW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H31N3O3 |
| Molecular Weight | 421.50 g/mol |
| Exact Mass | 421.23654186 g/mol |
| Topological Polar Surface Area (TPSA) | 81.70 Ų |
| XlogP | 2.40 |
| 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 | 96.85% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.51% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.01% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.61% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.36% | 97.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.60% | 93.99% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 88.97% | 93.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.39% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.99% | 90.00% |
| CHEMBL5028 | O14672 | ADAM10 | 86.49% | 97.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.69% | 99.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.20% | 91.11% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.15% | 90.24% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.51% | 91.71% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.00% | 85.14% |
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.
| Pleurostylia opposita |
| PubChem | 72752953 |
| LOTUS | LTS0095690 |
| wikiData | Q104993951 |