1,13-Dimethyl-8-(10-oxotridecyl)-1,5,9,13-tetrazacycloheptadecan-6-one
| Internal ID | 8f2309d2-9580-45bb-837d-9563b6e3f323 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolactams |
| IUPAC Name | 1,13-dimethyl-8-(10-oxotridecyl)-1,5,9,13-tetrazacycloheptadecan-6-one |
| SMILES (Canonical) | CCCC(=O)CCCCCCCCCC1CC(=O)NCCCN(CCCCN(CCCN1)C)C |
| SMILES (Isomeric) | CCCC(=O)CCCCCCCCCC1CC(=O)NCCCN(CCCCN(CCCN1)C)C |
| InChI | InChI=1S/C28H56N4O2/c1-4-16-27(33)18-11-9-7-5-6-8-10-17-26-25-28(34)30-20-15-24-32(3)22-13-12-21-31(2)23-14-19-29-26/h26,29H,4-25H2,1-3H3,(H,30,34) |
| InChI Key | HFJKZYHZEZUCHN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H56N4O2 |
| Molecular Weight | 480.80 g/mol |
| Exact Mass | 480.44032704 g/mol |
| Topological Polar Surface Area (TPSA) | 64.70 Ų |
| XlogP | 4.70 |
| 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 | 99.30% | 98.95% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 99.10% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.85% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.76% | 97.25% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.61% | 83.82% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 92.54% | 95.62% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 91.67% | 98.59% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 91.67% | 95.92% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.07% | 99.23% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.71% | 93.99% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.52% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.08% | 89.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 86.02% | 90.08% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.19% | 97.09% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 85.13% | 91.81% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.64% | 93.03% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.36% | 93.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.06% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.75% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.73% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.28% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.09% | 90.71% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.85% | 95.50% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.80% | 92.50% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.06% | 97.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.89% | 100.00% |
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.
| Albizia amara |
| PubChem | 162885925 |
| LOTUS | LTS0217327 |
| wikiData | Q105027366 |