13-Methanimidoyl-8-phenyl-1-(3-phenylprop-2-enoyl)-1,5,9,13-tetrazacycloheptadecan-6-one
Internal ID | 2474f102-5457-4b03-943b-bfedda5797b9 |
Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives |
IUPAC Name | 13-methanimidoyl-8-phenyl-1-(3-phenylprop-2-enoyl)-1,5,9,13-tetrazacycloheptadecan-6-one |
SMILES (Canonical) | C1CCN(CCCNC(=O)CC(NCCCN(C1)C=N)C2=CC=CC=C2)C(=O)C=CC3=CC=CC=C3 |
SMILES (Isomeric) | C1CCN(CCCNC(=O)CC(NCCCN(C1)C=N)C2=CC=CC=C2)C(=O)C=CC3=CC=CC=C3 |
InChI | InChI=1S/C29H39N5O2/c30-24-33-19-7-8-21-34(29(36)16-15-25-11-3-1-4-12-25)22-10-18-32-28(35)23-27(31-17-9-20-33)26-13-5-2-6-14-26/h1-6,11-16,24,27,30-31H,7-10,17-23H2,(H,32,35) |
InChI Key | NFLWYWGWAOASJD-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C29H39N5O2 |
Molecular Weight | 489.70 g/mol |
Exact Mass | 489.31037550 g/mol |
Topological Polar Surface Area (TPSA) | 88.50 Ų |
XlogP | 3.00 |
There are no found synonyms. |
![2D Structure of 13-Methanimidoyl-8-phenyl-1-(3-phenylprop-2-enoyl)-1,5,9,13-tetrazacycloheptadecan-6-one 2D Structure of 13-Methanimidoyl-8-phenyl-1-(3-phenylprop-2-enoyl)-1,5,9,13-tetrazacycloheptadecan-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/13-methanimidoyl-8-phenyl-1-3-phenylprop-2-enoyl-15913-tetrazacycloheptadecan-6-one.jpg)
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 |
---|---|---|---|---|
CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 96.13% | 83.57% |
CHEMBL2581 | P07339 | Cathepsin D | 96.06% | 98.95% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.39% | 96.09% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 95.04% | 93.99% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.29% | 86.33% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.94% | 95.56% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.81% | 97.09% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.34% | 99.23% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.29% | 89.00% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.19% | 91.11% |
CHEMBL5028 | O14672 | ADAM10 | 86.93% | 97.50% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.24% | 93.00% |
CHEMBL4208 | P20618 | Proteasome component C5 | 86.02% | 90.00% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.51% | 85.14% |
CHEMBL3524 | P56524 | Histone deacetylase 4 | 84.22% | 92.97% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.84% | 96.00% |
CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 83.07% | 90.24% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.79% | 93.04% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.60% | 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.
Incarvillea sinensis |
PubChem | 162873622 |
LOTUS | LTS0262071 |
wikiData | Q105178548 |