2-[2-[2-[2-(2-Hydroxy-3-methylbutanoyl)diazinane-3-carbonyl]diazinane-3-carbonyl]diazinane-3-carbonyl]diazinane-3-carboxylic acid
| Internal ID | e6a21cf4-b274-4b29-b96f-e2d7664d486c |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | 2-[2-[2-[2-(2-hydroxy-3-methylbutanoyl)diazinane-3-carbonyl]diazinane-3-carbonyl]diazinane-3-carbonyl]diazinane-3-carboxylic acid |
| SMILES (Canonical) | CC(C)C(C(=O)N1C(CCCN1)C(=O)N2C(CCCN2)C(=O)N3C(CCCN3)C(=O)N4C(CCCN4)C(=O)O)O |
| SMILES (Isomeric) | CC(C)C(C(=O)N1C(CCCN1)C(=O)N2C(CCCN2)C(=O)N3C(CCCN3)C(=O)N4C(CCCN4)C(=O)O)O |
| InChI | InChI=1S/C25H42N8O7/c1-15(2)20(34)24(38)32-18(9-5-13-28-32)22(36)30-16(7-3-11-26-30)21(35)31-17(8-4-12-27-31)23(37)33-19(25(39)40)10-6-14-29-33/h15-20,26-29,34H,3-14H2,1-2H3,(H,39,40) |
| InChI Key | WPINSFZPKCQOAA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H42N8O7 |
| Molecular Weight | 566.70 g/mol |
| Exact Mass | 566.31764571 g/mol |
| Topological Polar Surface Area (TPSA) | 187.00 Ų |
| XlogP | -2.50 |
| There are no found synonyms. |
![2D Structure of 2-[2-[2-[2-(2-Hydroxy-3-methylbutanoyl)diazinane-3-carbonyl]diazinane-3-carbonyl]diazinane-3-carbonyl]diazinane-3-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/60c47e90-82fa-11ee-8fce-49ee30e9c3e8.jpg "2D Structure of 2-[2-[2-[2-(2-Hydroxy-3-methylbutanoyl)diazinane-3-carbonyl]diazinane-3-carbonyl]diazinane-3-carbonyl]diazinane-3-carboxylic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.93% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.33% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.70% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.46% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.01% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.98% | 95.89% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.05% | 96.47% |
| CHEMBL4073 | P09237 | Matrix metalloproteinase 7 | 84.29% | 97.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.20% | 93.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.07% | 90.08% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.71% | 100.00% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 83.35% | 95.56% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.83% | 93.03% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.42% | 83.82% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.27% | 92.88% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.27% | 93.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.48% | 99.23% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 81.27% | 95.71% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 81.13% | 97.47% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.88% | 94.45% |
| CHEMBL274 | P51681 | C-C chemokine receptor type 5 | 80.15% | 98.77% |
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.
| There are no matching plants. |
| PubChem | 163114996 |
| LOTUS | LTS0167480 |
| wikiData | Q105309962 |