4-[[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]amino]-4-oxobutanoic acid
| Internal ID | a3e783e4-992f-4484-a300-9f1219c79697 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Cyclic peptides |
| IUPAC Name | 4-[[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]amino]-4-oxobutanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C49H72N14O19/c50-14-3-1-7-28(56-48(79)34(24-65)60-49(80)35-13-16-51-42-32(55-39(70)11-12-41(72)73)19-27-20-37(68)38(69)21-36(27)63(35)42)43(74)53-22-40(71)54-29(9-5-17-61(81)25-66)45(76)57-30-8-2-4-15-52-44(75)33(23-64)59-47(78)31(58-46(30)77)10-6-18-62(82)26-67/h19-21,25-26,28-31,33-35,51,64-65,68,81-82H,1-18,22-24,50H2,(H,52,75)(H,53,74)(H,54,71)(H,55,70)(H,56,79)(H,57,76)(H,58,77)(H,59,78)(H,60,80)(H,72,73) |
| InChI Key | HAAZWWOYBMGNPE-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C49H72N14O19 |
| Molecular Weight | 1161.20 g/mol |
| Exact Mass | 1160.50981612 g/mol |
| Topological Polar Surface Area (TPSA) | 499.00 Ų |
| XlogP | -8.00 |
| There are no found synonyms. |
![2D Structure of 4-[[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]amino]-4-oxobutanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/d90a65b0-83d9-11ee-b104-89d2a033c450.jpg "2D Structure of 4-[[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]amino]-4-oxobutanoic 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.74% | 98.95% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 99.71% | 94.45% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 99.15% | 89.63% |
| CHEMBL236 | P41143 | Delta opioid receptor | 99.12% | 99.35% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 98.83% | 93.10% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.46% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.06% | 96.09% |
| CHEMBL4296 | Q15858 | Sodium channel protein type IX alpha subunit | 97.99% | 96.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.57% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.55% | 97.09% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 96.67% | 98.24% |
| CHEMBL2208 | P49137 | MAP kinase-activated protein kinase 2 | 96.63% | 95.20% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 96.15% | 88.42% |
| CHEMBL3468 | P55210 | Caspase-7 | 96.09% | 95.68% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 95.57% | 97.23% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 95.33% | 98.05% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.84% | 99.17% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 94.79% | 90.20% |
| CHEMBL4801 | P29466 | Caspase-1 | 94.65% | 96.85% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 94.57% | 98.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 94.27% | 91.19% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 94.03% | 95.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 93.97% | 90.71% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 92.94% | 98.10% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.48% | 99.15% |
| CHEMBL204 | P00734 | Thrombin | 92.26% | 96.01% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 92.17% | 95.38% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 92.03% | 96.90% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 90.79% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 90.21% | 97.14% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 90.16% | 95.71% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.55% | 95.50% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 89.51% | 80.71% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 89.43% | 94.33% |
| CHEMBL4235 | P28845 | 11-beta-hydroxysteroid dehydrogenase 1 | 89.00% | 97.98% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.83% | 82.69% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 88.69% | 93.00% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 88.64% | 95.00% |
| CHEMBL2973 | O75116 | Rho-associated protein kinase 2 | 88.36% | 96.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.93% | 89.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.80% | 100.00% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 87.39% | 97.64% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.58% | 94.75% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 86.17% | 91.03% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 86.12% | 92.32% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.63% | 95.56% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 85.30% | 82.86% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 85.14% | 93.18% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.70% | 90.17% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 84.50% | 91.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.18% | 96.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 83.61% | 90.08% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 83.44% | 92.88% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 82.88% | 94.66% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.00% | 92.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.97% | 99.23% |
| CHEMBL1075317 | P61964 | WD repeat-containing protein 5 | 81.45% | 96.33% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 80.77% | 89.33% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 80.73% | 95.62% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 80.45% | 96.03% |
| CHEMBL1907589 | P17787 | Neuronal acetylcholine receptor; alpha4/beta2 | 80.38% | 94.55% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 80.01% | 95.00% |
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 | 163133412 |
| LOTUS | LTS0241404 |
| wikiData | Q104171623 |