3-[[2-[[2-[[5-[(4-Amino-4-oxobutanoyl)amino]-8-hydroxy-9-oxo-1,2,3,4-tetrahydropyrimido[1,2-a]quinoline-1-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-2-hydroxy-4-[[2-[[3-hydroxy-1-[[3-hydroxy-1-[(1-hydroxy-2-oxopiperidin-3-yl)amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-4-oxobutanoic acid
| Internal ID | dc65ddcb-d4ac-4a51-b018-aabc38b37d61 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides |
| IUPAC Name | 3-[[2-[[2-[[5-[(4-amino-4-oxobutanoyl)amino]-8-hydroxy-9-oxo-1,2,3,4-tetrahydropyrimido[1,2-a]quinoline-1-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-2-hydroxy-4-[[2-[[3-hydroxy-1-[[3-hydroxy-1-[(1-hydroxy-2-oxopiperidin-3-yl)amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-4-oxobutanoic acid |
| SMILES (Canonical) | CC(C)C(C(=O)NC(C(C(=O)O)O)C(=O)NCC(=O)NC(C(C)O)C(=O)NC(CO)C(=O)NC1CCCN(C1=O)O)NC(=O)C(CO)NC(=O)C2CCNC3=C(C=C4C=C(C(=O)C=C4N23)O)NC(=O)CCC(=O)N |
| SMILES (Isomeric) | CC(C)C(C(=O)NC(C(C(=O)O)O)C(=O)NCC(=O)NC(C(C)O)C(=O)NC(CO)C(=O)NC1CCCN(C1=O)O)NC(=O)C(CO)NC(=O)C2CCNC3=C(C=C4C=C(C(=O)C=C4N23)O)NC(=O)CCC(=O)N |
| InChI | InChI=1S/C43H60N12O19/c1-17(2)31(52-37(66)23(16-57)49-38(67)24-8-9-45-35-21(47-29(62)7-6-28(44)61)11-19-12-26(59)27(60)13-25(19)55(24)35)40(69)53-33(34(64)43(72)73)39(68)46-14-30(63)51-32(18(3)58)41(70)50-22(15-56)36(65)48-20-5-4-10-54(74)42(20)71/h11-13,17-18,20,22-24,31-34,45,56-59,64,74H,4-10,14-16H2,1-3H3,(H2,44,61)(H,46,68)(H,47,62)(H,48,65)(H,49,67)(H,50,70)(H,51,63)(H,52,66)(H,53,69)(H,72,73) |
| InChI Key | PYHRNECAEOQSFO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C43H60N12O19 |
| Molecular Weight | 1049.00 g/mol |
| Exact Mass | 1048.40976773 g/mol |
| Topological Polar Surface Area (TPSA) | 487.00 Ų |
| XlogP | -6.60 |
| There are no found synonyms. |
![2D Structure of 3-[[2-[[2-[[5-[(4-Amino-4-oxobutanoyl)amino]-8-hydroxy-9-oxo-1,2,3,4-tetrahydropyrimido[1,2-a]quinoline-1-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-2-hydroxy-4-[[2-[[3-hydroxy-1-[[3-hydroxy-1-[(1-hydroxy-2-oxopiperidin-3-yl)amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-4-oxobutanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/17f3f950-85ee-11ee-bd3f-5ffbe0b13bb0.jpg "2D Structure of 3-[[2-[[2-[[5-[(4-Amino-4-oxobutanoyl)amino]-8-hydroxy-9-oxo-1,2,3,4-tetrahydropyrimido[1,2-a]quinoline-1-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-2-hydroxy-4-[[2-[[3-hydroxy-1-[[3-hydroxy-1-[(1-hydroxy-2-oxopiperidin-3-yl)amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-2-oxoethyl]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 | 99.89% | 98.95% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 99.45% | 94.45% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 98.60% | 93.10% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.40% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.86% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.53% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.26% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.87% | 97.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 95.39% | 90.71% |
| CHEMBL3468 | P55210 | Caspase-7 | 93.92% | 95.68% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 93.28% | 98.24% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 93.23% | 98.33% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 92.69% | 95.38% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.52% | 83.82% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 91.98% | 98.05% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 90.90% | 97.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.67% | 89.00% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 89.67% | 97.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.54% | 99.23% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 89.44% | 94.33% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 88.78% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.48% | 90.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.24% | 99.15% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 88.10% | 89.63% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 86.73% | 91.03% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.71% | 96.47% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.42% | 93.03% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 86.19% | 80.71% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 86.12% | 96.03% |
| CHEMBL4296 | Q15858 | Sodium channel protein type IX alpha subunit | 85.84% | 96.11% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.84% | 93.00% |
| CHEMBL1873 | P00750 | Tissue-type plasminogen activator | 85.44% | 93.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.76% | 99.17% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 84.73% | 95.71% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 84.59% | 90.24% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.54% | 95.89% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 84.45% | 97.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.99% | 91.19% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 83.95% | 94.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.34% | 95.50% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 82.66% | 95.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.40% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.21% | 96.00% |
| CHEMBL5284 | Q96RR4 | CaM-kinase kinase beta | 81.55% | 89.23% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 81.08% | 89.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.84% | 90.17% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.76% | 92.88% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.68% | 89.50% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.63% | 96.90% |
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 | 162816709 |
| LOTUS | LTS0208806 |
| wikiData | Q104195551 |