Mirabimide A
| Internal ID | 97710b8e-7ab6-4edb-87e5-6994af3ecc98 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides |
| IUPAC Name | [(2S,3S)-1-[[(2S)-1-[(2R)-2-[(2R)-3-methoxy-5-oxo-2-propan-2-yl-2H-pyrrole-1-carbonyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxopentan-2-yl] (2S)-2-(dimethylamino)-4-methylpentanoate |
| SMILES (Canonical) | CCC(C)C(C(=O)N(C)C(C(C)C)C(=O)N1CCCC1C(=O)N2C(C(=CC2=O)OC)C(C)C)OC(=O)C(CC(C)C)N(C)C |
| SMILES (Isomeric) | CC[C@H](C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(=O)N2[C@@H](C(=CC2=O)OC)C(C)C)OC(=O)[C@H](CC(C)C)N(C)C |
| InChI | InChI=1S/C33H56N4O7/c1-13-22(8)29(44-33(42)24(34(9)10)17-19(2)3)32(41)35(11)28(21(6)7)31(40)36-16-14-15-23(36)30(39)37-26(38)18-25(43-12)27(37)20(4)5/h18-24,27-29H,13-17H2,1-12H3/t22-,23+,24-,27+,28-,29-/m0/s1 |
| InChI Key | HWFRVWXLBKHDOI-RKMTVKOKSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C33H56N4O7 |
| Molecular Weight | 620.80 g/mol |
| Exact Mass | 620.41490014 g/mol |
| Topological Polar Surface Area (TPSA) | 117.00 Ų |
| XlogP | 5.00 |
| DTXSID101335300 |
| 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 | 99.58% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.19% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.39% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.64% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.89% | 97.09% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 92.79% | 98.33% |
| CHEMBL204 | P00734 | Thrombin | 92.14% | 96.01% |
| CHEMBL3837 | P07711 | Cathepsin L | 91.71% | 96.61% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.66% | 90.00% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 89.27% | 94.50% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 88.45% | 98.10% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.91% | 90.71% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.23% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.54% | 94.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.08% | 97.14% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.05% | 96.95% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.95% | 95.89% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 85.94% | 99.18% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.91% | 90.17% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 85.61% | 90.24% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 84.89% | 96.25% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 84.84% | 97.47% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 83.79% | 100.00% |
| CHEMBL3202 | P48147 | Prolyl endopeptidase | 82.79% | 90.65% |
| CHEMBL3691 | Q13822 | Autotaxin | 80.81% | 96.39% |
| CHEMBL268 | P43235 | Cathepsin K | 80.70% | 96.85% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.36% | 95.93% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.31% | 91.19% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.01% | 90.08% |
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 | 146683645 |
| LOTUS | LTS0175561 |
| wikiData | Q105034642 |