Periconin A
| Internal ID | 42644c50-9ee6-48bb-a022-cd7f248919f6 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Dipeptides |
| IUPAC Name | 4-[(6-amino-2-oxoazepan-3-yl)amino]-3-[[3-[carboxy(chloro)methyl]-2-chloro-2-(1-chloro-3-hydroxybutyl)cyclopropanecarbonyl]amino]-4-oxobutanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H29Cl3N4O8/c1-7(28)4-11(21)20(23)13(15(22)19(34)35)14(20)18(33)27-10(5-12(29)30)17(32)26-9-3-2-8(24)6-25-16(9)31/h7-11,13-15,28H,2-6,24H2,1H3,(H,25,31)(H,26,32)(H,27,33)(H,29,30)(H,34,35) |
| InChI Key | NFVKVZRRCAVLMX-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H29Cl3N4O8 |
| Molecular Weight | 559.80 g/mol |
| Exact Mass | 558.105097 g/mol |
| Topological Polar Surface Area (TPSA) | 208.00 Ų |
| XlogP | -3.40 |
| 145586-00-1 |
| 4-[(6-amino-2-oxoazepan-3-yl)amino]-3-[[3-[carboxy(chloro)methyl]-2-chloro-2-(1-chloro-3-hydroxybutyl)cyclopropanecarbonyl]amino]-4-oxobutanoic acid |
| 4-((6-amino-2-oxoazepan-3-yl)amino)-3-((3-(carboxy(chloro)methyl)-2-chloro-2-(1-chloro-3-hydroxybutyl)cyclopropanecarbonyl)amino)-4-oxobutanoic acid |
| RefChem:171750 |
| Periconine A |
| DTXSID10932646 |
| 4-[(3-Amino-7-hydroxy-3,4,5,6-tetrahydro-2H-azepin-6-yl)imino]-3-{[{3-[carboxy(chloro)methyl]-2-chloro-2-(1-chloro-3-hydroxybutyl)cyclopropyl}(hydroxy)methylidene]amino}-4-hydroxybutanoic 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 99.26% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.74% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.05% | 98.95% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 97.65% | 96.38% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.41% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.37% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.51% | 91.11% |
| CHEMBL3468 | P55210 | Caspase-7 | 93.48% | 95.68% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 93.09% | 98.24% |
| CHEMBL3776 | Q14790 | Caspase-8 | 92.06% | 97.06% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.37% | 83.82% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 89.70% | 90.08% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 89.34% | 98.05% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.71% | 96.47% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.55% | 95.93% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 88.05% | 89.34% |
| CHEMBL236 | P41143 | Delta opioid receptor | 88.01% | 99.35% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.18% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.10% | 90.00% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 87.00% | 88.42% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 86.94% | 98.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.71% | 93.56% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.66% | 93.03% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.49% | 100.00% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 86.26% | 95.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.19% | 97.25% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.99% | 93.00% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 84.90% | 95.38% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 84.85% | 93.10% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.83% | 90.71% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.55% | 89.50% |
| CHEMBL4801 | P29466 | Caspase-1 | 82.71% | 96.85% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.89% | 96.90% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 81.76% | 80.71% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.64% | 91.03% |
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 | 3036128 |
| LOTUS | LTS0056518 |
| wikiData | Q82908368 |