N'-[1-[[1-[[6-amino-1-[[2-[[5-[formyl(hydroxy)amino]-1-[[6-[3-[formyl(hydroxy)amino]propyl]-3-(hydroxymethyl)-2,5,8-trioxo-1,4,7-triazacyclotridec-9-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]-8-hydroxy-9-oxo-1,2,3,4-tetrahydropyrimido[1,2-a]quinolin-5-yl]-2-hydroxypentanediamide
| Internal ID | b6de2cc2-e21a-43b4-9b3e-9fe77c63ed43 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Cyclic peptides |
| IUPAC Name | N'-[1-[[1-[[6-amino-1-[[2-[[5-[formyl(hydroxy)amino]-1-[[6-[3-[formyl(hydroxy)amino]propyl]-3-(hydroxymethyl)-2,5,8-trioxo-1,4,7-triazacyclotridec-9-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]-8-hydroxy-9-oxo-1,2,3,4-tetrahydropyrimido[1,2-a]quinolin-5-yl]-2-hydroxypentanediamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C50H75N15O19/c51-14-3-1-7-28(58-49(81)34(24-67)62-50(82)35-13-16-53-43-32(57-40(73)12-11-37(70)42(52)75)19-27-20-38(71)39(72)21-36(27)65(35)43)44(76)55-22-41(74)56-29(9-5-17-63(83)25-68)46(78)59-30-8-2-4-15-54-45(77)33(23-66)61-48(80)31(60-47(30)79)10-6-18-64(84)26-69/h19-21,25-26,28-31,33-35,37,53,66-67,70-71,83-84H,1-18,22-24,51H2,(H2,52,75)(H,54,77)(H,55,76)(H,56,74)(H,57,73)(H,58,81)(H,59,78)(H,60,79)(H,61,80)(H,62,82) |
| InChI Key | RNSRIKDLVNQGCD-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C50H75N15O19 |
| Molecular Weight | 1190.20 g/mol |
| Exact Mass | 1189.53636522 g/mol |
| Topological Polar Surface Area (TPSA) | 525.00 Ų |
| XlogP | -6.60 |
| There are no found synonyms. |
![2D Structure of N'-[1-[[1-[[6-amino-1-[[2-[[5-[formyl(hydroxy)amino]-1-[[6-[3-[formyl(hydroxy)amino]propyl]-3-(hydroxymethyl)-2,5,8-trioxo-1,4,7-triazacyclotridec-9-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]-8-hydroxy-9-oxo-1,2,3,4-tetrahydropyrimido[1,2-a]quinolin-5-yl]-2-hydroxypentanediamide](https://plantaedb.com/storage/docs/compounds/2023/11/4e8969d0-85ee-11ee-be4d-dbe679e6e489.jpg "2D Structure of N'-[1-[[1-[[6-amino-1-[[2-[[5-[formyl(hydroxy)amino]-1-[[6-[3-[formyl(hydroxy)amino]propyl]-3-(hydroxymethyl)-2,5,8-trioxo-1,4,7-triazacyclotridec-9-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]-8-hydroxy-9-oxo-1,2,3,4-tetrahydropyrimido[1,2-a]quinolin-5-yl]-2-hydroxypentanediamide")
| 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 | 99.68% | 98.95% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 99.55% | 89.63% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 99.32% | 94.45% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 99.07% | 93.10% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.01% | 91.11% |
| CHEMBL2208 | P49137 | MAP kinase-activated protein kinase 2 | 98.79% | 95.20% |
| CHEMBL236 | P41143 | Delta opioid receptor | 98.73% | 99.35% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 98.73% | 98.05% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.38% | 96.09% |
| CHEMBL4296 | Q15858 | Sodium channel protein type IX alpha subunit | 98.27% | 96.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 98.23% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.81% | 94.45% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 97.56% | 88.42% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 95.92% | 95.38% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 95.78% | 97.23% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 95.56% | 98.24% |
| CHEMBL204 | P00734 | Thrombin | 95.21% | 96.01% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 94.92% | 98.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 94.90% | 90.71% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 93.93% | 95.71% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 93.75% | 95.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.27% | 99.17% |
| CHEMBL4235 | P28845 | 11-beta-hydroxysteroid dehydrogenase 1 | 92.23% | 97.98% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 91.98% | 97.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.93% | 91.19% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 91.87% | 94.33% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 91.75% | 80.71% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.25% | 82.69% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 91.18% | 100.00% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 90.36% | 95.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 90.24% | 96.90% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.01% | 89.00% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 89.17% | 97.64% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 88.69% | 98.10% |
| CHEMBL2973 | O75116 | Rho-associated protein kinase 2 | 88.65% | 96.73% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 88.58% | 82.86% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 88.56% | 91.03% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 88.41% | 92.88% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 88.23% | 100.00% |
| CHEMBL3468 | P55210 | Caspase-7 | 88.18% | 95.68% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 88.00% | 90.20% |
| CHEMBL4801 | P29466 | Caspase-1 | 87.74% | 96.85% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 87.39% | 93.18% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 87.19% | 89.33% |
| CHEMBL4630 | O14757 | Serine/threonine-protein kinase Chk1 | 87.16% | 97.03% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.97% | 95.50% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 86.88% | 83.10% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.12% | 99.15% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.86% | 92.94% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.68% | 93.00% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 85.66% | 96.03% |
| CHEMBL1907589 | P17787 | Neuronal acetylcholine receptor; alpha4/beta2 | 85.18% | 94.55% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 84.75% | 95.83% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 84.73% | 94.66% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.48% | 90.08% |
| CHEMBL1075317 | P61964 | WD repeat-containing protein 5 | 83.36% | 96.33% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 83.28% | 92.32% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.24% | 96.00% |
| CHEMBL5251 | Q06187 | Tyrosine-protein kinase BTK | 82.81% | 98.51% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 82.68% | 83.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.96% | 95.56% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.33% | 89.50% |
| CHEMBL4816 | Q9Y243 | Serine/threonine-protein kinase AKT3 | 81.24% | 96.28% |
| CHEMBL5284 | Q96RR4 | CaM-kinase kinase beta | 80.93% | 89.23% |
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 | 163162677 |
| LOTUS | LTS0082854 |
| wikiData | Q104196320 |