Mabetaetolide A
| Internal ID | ae8663c0-8684-4b61-9c8b-4aec30eeca42 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 5-[[3,18-di(butan-2-yl)-6,12-bis(hydroxymethyl)-22-methyl-9,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1-oxa-4,7,10,13,16,19-hexazacyclodocos-21-yl]amino]-4-[[2-[[(3R)-3-hydroxydecanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C55H97N9O16/c1-13-16-17-18-19-20-35(67)26-42(68)56-37(23-29(4)5)48(72)57-36(21-22-43(69)70)47(71)64-46-34(12)80-55(79)45(33(11)15-3)63-52(76)41(28-66)61-49(73)38(24-30(6)7)58-51(75)40(27-65)60-50(74)39(25-31(8)9)59-53(77)44(32(10)14-2)62-54(46)78/h29-41,44-46,65-67H,13-28H2,1-12H3,(H,56,68)(H,57,72)(H,58,75)(H,59,77)(H,60,74)(H,61,73)(H,62,78)(H,63,76)(H,64,71)(H,69,70)/t32?,33?,34?,35-,36?,37?,38?,39?,40?,41?,44?,45?,46?/m1/s1 |
| InChI Key | JAYJEXYYCNLGOQ-FFHBUIIJSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C55H97N9O16 |
| Molecular Weight | 1140.40 g/mol |
| Exact Mass | 1139.70532804 g/mol |
| Topological Polar Surface Area (TPSA) | 386.00 Ų |
| XlogP | 5.50 |
| 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 | 99.77% | 98.95% |
| CHEMBL3837 | P07711 | Cathepsin L | 99.16% | 96.61% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.44% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 98.04% | 93.56% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 97.20% | 92.08% |
| CHEMBL4801 | P29466 | Caspase-1 | 96.40% | 96.85% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 95.02% | 98.05% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.01% | 91.11% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 94.83% | 96.90% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 94.19% | 96.47% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.94% | 96.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 93.49% | 90.08% |
| CHEMBL3468 | P55210 | Caspase-7 | 92.77% | 95.68% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 92.63% | 89.63% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 90.90% | 96.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 90.73% | 91.81% |
| CHEMBL3776 | Q14790 | Caspase-8 | 90.58% | 97.06% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 90.41% | 97.29% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 89.94% | 100.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 89.83% | 90.20% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 89.13% | 89.50% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 88.65% | 95.00% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 88.40% | 97.23% |
| CHEMBL1801 | P00747 | Plasminogen | 87.72% | 92.44% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.42% | 90.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.08% | 90.71% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.93% | 97.14% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 86.42% | 94.66% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 85.29% | 90.24% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 84.93% | 98.10% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.82% | 99.23% |
| CHEMBL236 | P41143 | Delta opioid receptor | 84.70% | 99.35% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 84.30% | 92.32% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.07% | 92.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.85% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.50% | 95.56% |
| CHEMBL4374 | Q9Y5X4 | Photoreceptor-specific nuclear receptor | 83.22% | 85.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.12% | 93.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.70% | 100.00% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 82.45% | 97.64% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 82.29% | 97.50% |
| CHEMBL4662 | P28074 | Proteasome Macropain subunit MB1 | 82.23% | 93.85% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.11% | 97.09% |
| CHEMBL4296 | Q15858 | Sodium channel protein type IX alpha subunit | 81.67% | 96.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.65% | 94.75% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 81.54% | 100.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 81.35% | 98.03% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.10% | 94.80% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.26% | 97.25% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 80.25% | 92.29% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.19% | 92.88% |
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 | 139583399 |
| LOTUS | LTS0201816 |
| wikiData | Q75062030 |