2-[[2-[[2-amino-2-[2-(2-hydroxyphenyl)-2-oxoethoxy]acetyl]amino]-3-hydroxypropanoyl]amino]-5-[formyl(hydroxy)amino]-N-[3-[(1-hydroxy-2-oxopiperidin-3-yl)amino]-3-oxopropyl]pentanamide
| Internal ID | 9482f0b0-f580-4530-b4ef-20d61deb7a3f |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides |
| IUPAC Name | 2-[[2-[[2-amino-2-[2-(2-hydroxyphenyl)-2-oxoethoxy]acetyl]amino]-3-hydroxypropanoyl]amino]-5-[formyl(hydroxy)amino]-N-[3-[(1-hydroxy-2-oxopiperidin-3-yl)amino]-3-oxopropyl]pentanamide |
| SMILES (Canonical) | C1CC(C(=O)N(C1)O)NC(=O)CCNC(=O)C(CCCN(C=O)O)NC(=O)C(CO)NC(=O)C(N)OCC(=O)C2=CC=CC=C2O |
| SMILES (Isomeric) | C1CC(C(=O)N(C1)O)NC(=O)CCNC(=O)C(CCCN(C=O)O)NC(=O)C(CO)NC(=O)C(N)OCC(=O)C2=CC=CC=C2O |
| InChI | InChI=1S/C27H39N7O12/c28-23(46-14-21(38)16-5-1-2-8-20(16)37)26(42)32-19(13-35)25(41)31-17(6-3-11-33(44)15-36)24(40)29-10-9-22(39)30-18-7-4-12-34(45)27(18)43/h1-2,5,8,15,17-19,23,35,37,44-45H,3-4,6-7,9-14,28H2,(H,29,40)(H,30,39)(H,31,41)(H,32,42) |
| InChI Key | OPVRKWLOIXOCFZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H39N7O12 |
| Molecular Weight | 653.60 g/mol |
| Exact Mass | 653.26566970 g/mol |
| Topological Polar Surface Area (TPSA) | 290.00 Ų |
| XlogP | -3.20 |
| There are no found synonyms. |
![2D Structure of 2-[[2-[[2-amino-2-[2-(2-hydroxyphenyl)-2-oxoethoxy]acetyl]amino]-3-hydroxypropanoyl]amino]-5-[formyl(hydroxy)amino]-N-[3-[(1-hydroxy-2-oxopiperidin-3-yl)amino]-3-oxopropyl]pentanamide](https://plantaedb.com/storage/docs/compounds/2023/11/cad55d20-8695-11ee-a852-993ae92ed7f4.jpg "2D Structure of 2-[[2-[[2-amino-2-[2-(2-hydroxyphenyl)-2-oxoethoxy]acetyl]amino]-3-hydroxypropanoyl]amino]-5-[formyl(hydroxy)amino]-N-[3-[(1-hydroxy-2-oxopiperidin-3-yl)amino]-3-oxopropyl]pentanamide")
| 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 | 99.77% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.31% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.24% | 96.09% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 97.07% | 95.00% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 94.84% | 98.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.02% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.40% | 99.17% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 92.62% | 90.08% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.85% | 93.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.64% | 97.09% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 91.20% | 93.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.81% | 91.19% |
| CHEMBL204 | P00734 | Thrombin | 90.51% | 96.01% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.99% | 99.23% |
| CHEMBL5701 | Q9H2K8 | Serine/threonine-protein kinase TAO3 | 89.40% | 96.67% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.45% | 94.45% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 87.01% | 100.00% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 86.71% | 89.33% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.69% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 86.42% | 97.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.07% | 90.71% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 85.61% | 97.64% |
| CHEMBL4777 | P25929 | Neuropeptide Y receptor type 1 | 85.18% | 96.67% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 84.38% | 98.05% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 84.27% | 95.00% |
| CHEMBL4101 | P17612 | cAMP-dependent protein kinase alpha-catalytic subunit | 84.11% | 82.86% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.49% | 93.03% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 83.08% | 96.25% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 82.82% | 83.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.80% | 95.89% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 82.63% | 91.81% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 82.03% | 88.42% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.47% | 95.50% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.14% | 82.69% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.52% | 97.14% |
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 | 162815980 |
| LOTUS | LTS0212782 |
| wikiData | Q104193603 |