4-[[6-Amino-3-hydroxy-2-[[5,5,5-trichloro-2-[(2,2-dihydroxyacetyl)amino]-4-methylpentanoyl]amino]hexanoyl]amino]-7-(chloromethylidene)-14-hydroxy-5,8,13-trioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.3.0]pentadec-1(12)-ene-10-carboxylic acid
| Internal ID | 5c6bacc6-8952-470e-b21f-7f26e48f3de1 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | 4-[[6-amino-3-hydroxy-2-[[5,5,5-trichloro-2-[(2,2-dihydroxyacetyl)amino]-4-methylpentanoyl]amino]hexanoyl]amino]-7-(chloromethylidene)-14-hydroxy-5,8,13-trioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.3.0]pentadec-1(12)-ene-10-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H44Cl4N6O13/c1-11(2)23-21(27(48)39-16(10-32)25(46)38-15(29(50)51)8-13-19(54-23)9-18(43)22(13)44)41-26(47)20(17(42)5-4-6-36)40-24(45)14(37-28(49)30(52)53)7-12(3)31(33,34)35/h10-12,14-15,17-18,20-21,23,30,42-43,52-53H,4-9,36H2,1-3H3,(H,37,49)(H,38,46)(H,39,48)(H,40,45)(H,41,47)(H,50,51) |
| InChI Key | OFSPGCBDZZVUAR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H44Cl4N6O13 |
| Molecular Weight | 850.50 g/mol |
| Exact Mass | 850.169096 g/mol |
| Topological Polar Surface Area (TPSA) | 316.00 Ų |
| XlogP | -2.30 |
| There are no found synonyms. |
![2D Structure of 4-[[6-Amino-3-hydroxy-2-[[5,5,5-trichloro-2-[(2,2-dihydroxyacetyl)amino]-4-methylpentanoyl]amino]hexanoyl]amino]-7-(chloromethylidene)-14-hydroxy-5,8,13-trioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.3.0]pentadec-1(12)-ene-10-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/97784760-8842-11ee-96b3-6d49b4d99fb3.jpg "2D Structure of 4-[[6-Amino-3-hydroxy-2-[[5,5,5-trichloro-2-[(2,2-dihydroxyacetyl)amino]-4-methylpentanoyl]amino]hexanoyl]amino]-7-(chloromethylidene)-14-hydroxy-5,8,13-trioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.3.0]pentadec-1(12)-ene-10-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 | 97.44% | 96.09% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 97.39% | 92.29% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.34% | 98.95% |
| CHEMBL3837 | P07711 | Cathepsin L | 97.24% | 96.61% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.07% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.05% | 90.17% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 97.05% | 89.34% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.20% | 83.82% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 95.07% | 96.47% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.70% | 94.45% |
| CHEMBL4801 | P29466 | Caspase-1 | 93.03% | 96.85% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 93.01% | 93.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.83% | 99.17% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 92.77% | 100.00% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 92.13% | 95.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.08% | 97.09% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 91.97% | 89.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.75% | 90.71% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 90.43% | 88.42% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 89.48% | 98.05% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 89.12% | 96.90% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 89.04% | 100.00% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 88.46% | 98.33% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 88.11% | 98.75% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 87.51% | 91.03% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.02% | 95.56% |
| CHEMBL3776 | Q14790 | Caspase-8 | 86.22% | 97.06% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.19% | 95.89% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 84.68% | 95.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.50% | 90.08% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.36% | 91.07% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.31% | 93.00% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 84.18% | 94.66% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 83.72% | 98.03% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.58% | 97.21% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 83.52% | 92.88% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 82.23% | 94.00% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 81.53% | 97.64% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.33% | 95.93% |
| CHEMBL5028 | O14672 | ADAM10 | 80.21% | 97.50% |
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 | 162929798 |
| LOTUS | LTS0064963 |
| wikiData | Q104193331 |