(8R)-9,13-dimethyl-8-pentadecyl-1,5,9,13-tetrazacycloheptadecan-6-one
| Internal ID | 7a74f740-72d5-49bb-ab95-d26081b97e4d |
| Taxonomy | Organic acids and derivatives > Carboximidic acids and derivatives > Carboximidic acids > Cyclic carboximidic acids |
| IUPAC Name | (8R)-9,13-dimethyl-8-pentadecyl-1,5,9,13-tetrazacycloheptadecan-6-one |
| SMILES (Canonical) | CCCCCCCCCCCCCCCC1CC(=O)NCCCNCCCCN(CCCN1C)C |
| SMILES (Isomeric) | CCCCCCCCCCCCCCC[C@@H]1CC(=O)NCCCNCCCCN(CCCN1C)C |
| InChI | InChI=1S/C30H62N4O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-29-28-30(35)32-24-19-23-31-22-17-18-25-33(2)26-20-27-34(29)3/h29,31H,4-28H2,1-3H3,(H,32,35)/t29-/m1/s1 |
| InChI Key | BRSMPVGCTMVIOT-GDLZYMKVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H62N4O |
| Molecular Weight | 494.80 g/mol |
| Exact Mass | 494.49236261 g/mol |
| Topological Polar Surface Area (TPSA) | 47.60 Ų |
| XlogP | 8.10 |
| 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 | 99.52% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.54% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.21% | 97.25% |
| CHEMBL228 | P31645 | Serotonin transporter | 96.43% | 95.51% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 95.49% | 91.81% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.92% | 97.09% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 91.59% | 100.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 90.22% | 90.08% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 89.42% | 92.86% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 89.23% | 98.59% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.77% | 93.99% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 88.17% | 91.03% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.43% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.34% | 95.89% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 86.98% | 90.24% |
| CHEMBL4072 | P07858 | Cathepsin B | 86.54% | 93.67% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.47% | 93.00% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 85.99% | 99.18% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.44% | 90.71% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 85.07% | 89.63% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 84.80% | 97.05% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.78% | 95.50% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 84.31% | 95.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.05% | 85.14% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.30% | 82.38% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.27% | 100.00% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 81.25% | 97.64% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 80.90% | 92.97% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.69% | 94.45% |
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 schimperiana |
| PubChem | 162889111 |
| LOTUS | LTS0114944 |
| wikiData | Q104944994 |