Macyranone B
| Internal ID | 0b8a31a3-f07e-48e5-bd19-41fb884a1ab6 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides |
| IUPAC Name | (2S)-2-[[3-[[(2S,3R)-3-hydroxy-1-[[(2S,3S)-3-hydroxy-1-[[(2S)-4-methyl-1-[[2-(2-methylpropyl)-3-oxooxolan-2-yl]amino]-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/C35H53N5O11/c1-18(2)15-24(31(46)40-35(17-19(3)4)26(43)13-14-51-35)36-32(47)27(21(6)41)39-33(48)28(22(7)42)38-30(45)20(5)29(44)37-25(34(49)50)16-23-11-9-8-10-12-23/h8-12,18-22,24-25,27-28,41-42H,13-17H2,1-7H3,(H,36,47)(H,37,44)(H,38,45)(H,39,48)(H,40,46)(H,49,50)/t20?,21-,22+,24-,25-,27-,28-,35?/m0/s1 |
| InChI Key | MSPVQUNLNAOKSA-UGPVNDJUSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C35H53N5O11 |
| Molecular Weight | 719.80 g/mol |
| Exact Mass | 719.37415752 g/mol |
| Topological Polar Surface Area (TPSA) | 250.00 Ų |
| XlogP | 1.50 |
| 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 | 99.85% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 99.21% | 90.17% |
| CHEMBL3837 | P07711 | Cathepsin L | 98.43% | 96.61% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.30% | 91.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 94.29% | 93.56% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 92.73% | 89.63% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.67% | 85.14% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 92.52% | 98.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.49% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.45% | 95.56% |
| CHEMBL268 | P43235 | Cathepsin K | 90.43% | 96.85% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 90.18% | 85.11% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.61% | 95.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 89.33% | 97.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.68% | 99.17% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 87.46% | 90.20% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.62% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.40% | 86.33% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 85.01% | 97.64% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.34% | 94.45% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.26% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 81.01% | 97.50% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 80.70% | 100.00% |
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.
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| There are no matching plants. |
| PubChem | 122378444 |
| LOTUS | LTS0071164 |
| wikiData | Q105171341 |