Dysamide I
| Internal ID | 0c58cc18-2959-4f06-ac6d-b81effd2f9f6 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | (3S,6Z)-1,4-dimethyl-3-[(2S)-3,3,3-trichloro-2-methylpropyl]-6-[(2S)-3,3,3-trichloro-2-methylpropylidene]piperazine-2,5-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C14H18Cl6N2O2/c1-7(13(15,16)17)5-9-11(23)22(4)10(12(24)21(9)3)6-8(2)14(18,19)20/h5,7-8,10H,6H2,1-4H3/b9-5-/t7-,8-,10-/m0/s1 |
| InChI Key | XJCMCNILUZGERI-YQDKCZNOSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C14H18Cl6N2O2 |
| Molecular Weight | 459.00 g/mol |
| Exact Mass | 457.946994 g/mol |
| Topological Polar Surface Area (TPSA) | 40.60 Ų |
| XlogP | 5.00 |
| (3S,6Z)-1,4-dimethyl-3-[(2S)-3,3,3-trichloro-2-methylpropyl]-6-[(2S)-3,3,3-trichloro-2-methylpropylidene]piperazine-2,5-dione |
| (3S,6Z)-1,4-dimethyl-3-((2S)-3,3,3-trichloro-2-methylpropyl)-6-((2S)-3,3,3-trichloro-2-methylpropylidene)piperazine-2,5-dione |
| RefChem:136054 |
| 213817-92-6 |
| 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 | 96.43% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.22% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.88% | 95.56% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 88.63% | 89.34% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.10% | 96.09% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 84.26% | 96.31% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 83.91% | 92.12% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 83.88% | 90.08% |
| CHEMBL3869 | P50281 | Matrix metalloproteinase 14 | 82.21% | 93.10% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.28% | 90.71% |
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 | 10504115 |
| LOTUS | LTS0125619 |
| wikiData | Q105328866 |