Macyranone A
| Internal ID | ca592eae-37b3-4cd3-bd20-8842e15c2fc0 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides |
| IUPAC Name | (2S)-2-[[3-[[(2S,3R)-3-hydroxy-1-[[(2S,3S)-3-hydroxy-1-[[(2S)-4-methyl-1-[(2R)-oxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-2-methyl-3-oxopropanoyl]amino]-3-phenylpropanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H42N4O10/c1-14(2)11-19(24(36)21-13-43-21)30-27(39)22(16(4)34)33-28(40)23(17(5)35)32-26(38)15(3)25(37)31-20(29(41)42)12-18-9-7-6-8-10-18/h6-10,14-17,19-23,34-35H,11-13H2,1-5H3,(H,30,39)(H,31,37)(H,32,38)(H,33,40)(H,41,42)/t15?,16-,17+,19-,20-,21+,22-,23-/m0/s1 |
| InChI Key | CTSHOLUODOXUMF-IDMHJFSFSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C29H42N4O10 |
| Molecular Weight | 606.70 g/mol |
| Exact Mass | 606.29009355 g/mol |
| Topological Polar Surface Area (TPSA) | 224.00 Ų |
| XlogP | 0.60 |
| There are no found synonyms. |
| 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 | 99.75% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 99.42% | 90.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 95.10% | 93.56% |
| CHEMBL3837 | P07711 | Cathepsin L | 94.76% | 96.61% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.31% | 96.09% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 92.58% | 98.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 91.20% | 97.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.70% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.15% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.71% | 95.56% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 84.98% | 90.20% |
| CHEMBL5028 | O14672 | ADAM10 | 84.90% | 97.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.17% | 90.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.76% | 100.00% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 83.51% | 85.31% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 83.31% | 100.00% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 82.55% | 90.24% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.04% | 90.71% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 81.50% | 97.64% |
| CHEMBL2095164 | P49354 | Geranylgeranyl transferase type I | 81.02% | 92.80% |
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 | 122378443 |
| LOTUS | LTS0128060 |
| wikiData | Q104970024 |