2-[2-[2-[2-(2-Hydroxy-3-methylpentanoyl)diazinane-3-carbonyl]diazinane-3-carbonyl]diazinane-3-carbonyl]diazinane-3-carboxylic acid
| Internal ID | e69b845a-0070-4395-a9b3-5f821d1985f6 |
| 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-methylpentanoyl)diazinane-3-carbonyl]diazinane-3-carbonyl]diazinane-3-carbonyl]diazinane-3-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H44N8O7/c1-3-16(2)21(35)25(39)33-19(10-6-14-29-33)23(37)31-17(8-4-12-27-31)22(36)32-18(9-5-13-28-32)24(38)34-20(26(40)41)11-7-15-30-34/h16-21,27-30,35H,3-15H2,1-2H3,(H,40,41) |
| InChI Key | HDRDJUCRCWTMQP-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C26H44N8O7 |
| Molecular Weight | 580.70 g/mol |
| Exact Mass | 580.33329577 g/mol |
| Topological Polar Surface Area (TPSA) | 187.00 Ų |
| XlogP | -2.20 |
| There are no found synonyms. |
![2D Structure of 2-[2-[2-[2-(2-Hydroxy-3-methylpentanoyl)diazinane-3-carbonyl]diazinane-3-carbonyl]diazinane-3-carbonyl]diazinane-3-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/fbc71eb0-8647-11ee-9739-13a771175b5c.jpg "2D Structure of 2-[2-[2-[2-(2-Hydroxy-3-methylpentanoyl)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 | 97.95% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.22% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.15% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.35% | 97.09% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.74% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.70% | 96.47% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 86.02% | 96.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.13% | 95.89% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.02% | 93.56% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 82.96% | 100.00% |
| CHEMBL4073 | P09237 | Matrix metalloproteinase 7 | 81.86% | 97.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.36% | 100.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.81% | 93.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.57% | 92.88% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 80.42% | 97.64% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 80.13% | 97.47% |
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.
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| There are no matching plants. |
| PubChem | 163109262 |
| LOTUS | LTS0072931 |
| wikiData | Q105026496 |