(3R,6R)-3-[(2S)-3,3-dichloro-2-methylpropyl]-1,4-dimethyl-6-[(2R)-3,3,3-trichloro-2-methylpropyl]piperazine-2,5-dione
| Internal ID | 51c0c984-0b5f-407c-bb56-526ab52c0189 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | (3R,6R)-3-[(2S)-3,3-dichloro-2-methylpropyl]-1,4-dimethyl-6-[(2R)-3,3,3-trichloro-2-methylpropyl]piperazine-2,5-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C14H21Cl5N2O2/c1-7(11(15)16)5-9-12(22)21(4)10(13(23)20(9)3)6-8(2)14(17,18)19/h7-11H,5-6H2,1-4H3/t7-,8+,9+,10+/m0/s1 |
| InChI Key | UTEKGWWXPYZXIW-SGIHWFKDSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C14H21Cl5N2O2 |
| Molecular Weight | 426.60 g/mol |
| Exact Mass | 426.001616 g/mol |
| Topological Polar Surface Area (TPSA) | 40.60 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of (3R,6R)-3-[(2S)-3,3-dichloro-2-methylpropyl]-1,4-dimethyl-6-[(2R)-3,3,3-trichloro-2-methylpropyl]piperazine-2,5-dione](https://plantaedb.com/storage/docs/compounds/2023/11/4125b210-86ef-11ee-be6a-4bcc58266478.jpg "2D Structure of (3R,6R)-3-[(2S)-3,3-dichloro-2-methylpropyl]-1,4-dimethyl-6-[(2R)-3,3,3-trichloro-2-methylpropyl]piperazine-2,5-dione")
| 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 | 96.51% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.66% | 97.25% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 89.36% | 89.34% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.97% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.51% | 95.56% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 83.46% | 91.76% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.86% | 90.71% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162936985 |
| LOTUS | LTS0111896 |
| wikiData | Q105278725 |