1-[2-[[2-[[4-Acetyloxy-1-[2-[[2-[[3-(3,5-dichloro-4-methoxyphenyl)-2-hydroxyprop-2-enoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]-5-methylpyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]-hydroxyamino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid
| Internal ID | be1469c8-c861-47a5-a8cf-678a0c871676 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | 1-[2-[[2-[[4-acetyloxy-1-[2-[[2-[[3-(3,5-dichloro-4-methoxyphenyl)-2-hydroxyprop-2-enoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]-5-methylpyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]-hydroxyamino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C44H64Cl2N6O14/c1-20(2)14-29(48-40(58)35(24(8)53)49-39(57)33(55)18-26-16-27(45)37(65-10)28(46)17-26)41(59)51-23(7)34(66-25(9)54)19-32(51)38(56)47-30(15-21(3)4)42(60)52(64)36(22(5)6)43(61)50-13-11-12-31(50)44(62)63/h16-18,20-24,29-32,34-36,53,55,64H,11-15,19H2,1-10H3,(H,47,56)(H,48,58)(H,49,57)(H,62,63) |
| InChI Key | REEDMHDJUZZKLO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C44H64Cl2N6O14 |
| Molecular Weight | 971.90 g/mol |
| Exact Mass | 970.3857561 g/mol |
| Topological Polar Surface Area (TPSA) | 282.00 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
![2D Structure of 1-[2-[[2-[[4-Acetyloxy-1-[2-[[2-[[3-(3,5-dichloro-4-methoxyphenyl)-2-hydroxyprop-2-enoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]-5-methylpyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]-hydroxyamino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/8b046c60-867f-11ee-b452-fdc92dec6e4c.jpg "2D Structure of 1-[2-[[2-[[4-Acetyloxy-1-[2-[[2-[[3-(3,5-dichloro-4-methoxyphenyl)-2-hydroxyprop-2-enoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]-5-methylpyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]-hydroxyamino]-3-methylbutanoyl]pyrrolidine-2-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.50% | 98.95% |
| CHEMBL3837 | P07711 | Cathepsin L | 99.44% | 96.61% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 98.15% | 98.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.82% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.63% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.34% | 91.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 96.76% | 90.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.32% | 96.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 95.22% | 93.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 94.91% | 91.19% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 94.69% | 97.14% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 94.43% | 90.24% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 94.34% | 98.10% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 91.50% | 93.10% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.79% | 94.45% |
| CHEMBL5028 | O14672 | ADAM10 | 90.61% | 97.50% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.83% | 95.89% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 89.45% | 100.00% |
| CHEMBL2083 | P15090 | Fatty acid binding protein adipocyte | 89.37% | 95.71% |
| CHEMBL1907599 | P05556 | Integrin alpha-4/beta-1 | 88.85% | 92.86% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 88.51% | 97.50% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 87.33% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.09% | 95.56% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.02% | 97.21% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 86.97% | 89.50% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 86.84% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.44% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.26% | 95.89% |
| CHEMBL4073 | P09237 | Matrix metalloproteinase 7 | 85.78% | 97.56% |
| CHEMBL3024 | P53350 | Serine/threonine-protein kinase PLK1 | 85.76% | 97.43% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 85.42% | 99.18% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.23% | 96.95% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 85.08% | 96.90% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.01% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.89% | 85.14% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.49% | 96.47% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.25% | 99.17% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 83.53% | 90.24% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.08% | 94.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.85% | 97.09% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.85% | 91.03% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.41% | 90.71% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 80.29% | 94.66% |
| CHEMBL1873 | P00750 | Tissue-type plasminogen activator | 80.09% | 93.33% |
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 | 162815384 |
| LOTUS | LTS0130062 |
| wikiData | Q104196514 |