(2S)-2-phenyl-9-[(E)-3-phenylprop-2-enoyl]-1,5,9,14-tetrazabicyclo[12.3.1]octadecan-4-one
| Internal ID | e505c8d1-806d-4b10-a29a-9fa3dfba8438 |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives |
| IUPAC Name | (2S)-2-phenyl-9-[(E)-3-phenylprop-2-enoyl]-1,5,9,14-tetrazabicyclo[12.3.1]octadecan-4-one |
| SMILES (Canonical) | C1CCN(CCCNC(=O)CC(N2CCCN(C1)C2)C3=CC=CC=C3)C(=O)C=CC4=CC=CC=C4 |
| SMILES (Isomeric) | C1CCN(CCCNC(=O)C[C@H](N2CCCN(C1)C2)C3=CC=CC=C3)C(=O)/C=C/C4=CC=CC=C4 |
| InChI | InChI=1S/C29H38N4O2/c34-28-23-27(26-13-5-2-6-14-26)33-22-10-19-31(24-33)18-7-8-20-32(21-9-17-30-28)29(35)16-15-25-11-3-1-4-12-25/h1-6,11-16,27H,7-10,17-24H2,(H,30,34)/b16-15+/t27-/m0/s1 |
| InChI Key | GJBNASRDLZFSBX-VHRAYMLOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H38N4O2 |
| Molecular Weight | 474.60 g/mol |
| Exact Mass | 474.29947647 g/mol |
| Topological Polar Surface Area (TPSA) | 55.90 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of (2S)-2-phenyl-9-[(E)-3-phenylprop-2-enoyl]-1,5,9,14-tetrazabicyclo[12.3.1]octadecan-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/2s-2-phenyl-9-e-3-phenylprop-2-enoyl-15914-tetrazabicyclo1231octadecan-4-one.jpg "2D Structure of (2S)-2-phenyl-9-[(E)-3-phenylprop-2-enoyl]-1,5,9,14-tetrazabicyclo[12.3.1]octadecan-4-one")
| 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 | 97.29% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.19% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.41% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.16% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.38% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.21% | 93.99% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.97% | 97.09% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 90.11% | 91.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.09% | 99.23% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 89.55% | 93.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.97% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.77% | 85.14% |
| CHEMBL5028 | O14672 | ADAM10 | 87.16% | 97.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.13% | 90.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.07% | 93.03% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 84.99% | 83.57% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 82.68% | 95.83% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.74% | 90.24% |
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.
| Verbascum phoeniceum |
| PubChem | 12971674 |
| LOTUS | LTS0154457 |
| wikiData | Q105009326 |