Bananamide E
| Internal ID | 5ebb71f5-5042-4c5c-ad97-c59a33ba36a0 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 4-[[3-butan-2-yl-9-(hydroxymethyl)-19-methyl-6,12,15-tris(2-methylpropyl)-2,5,8,11,14,17-hexaoxo-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]amino]-3-[[2-(3-hydroxydodecanoylamino)-4-methylpentanoyl]amino]-4-oxobutanoic acid |
| SMILES (Canonical) | CCCCCCCCCC(CC(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC1C(OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CC(C)C)CC(C)C)CO)CC(C)C)C(C)CC)C)O |
| SMILES (Isomeric) | CCCCCCCCCC(CC(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC1C(OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CC(C)C)CC(C)C)CO)CC(C)C)C(C)CC)C)O |
| InChI | InChI=1S/C53H94N8O14/c1-13-15-16-17-18-19-20-21-35(63)26-42(64)54-36(22-29(3)4)46(67)57-40(27-43(65)66)50(71)61-45-34(12)75-53(74)44(33(11)14-2)60-49(70)39(25-32(9)10)56-51(72)41(28-62)59-48(69)37(23-30(5)6)55-47(68)38(24-31(7)8)58-52(45)73/h29-41,44-45,62-63H,13-28H2,1-12H3,(H,54,64)(H,55,68)(H,56,72)(H,57,67)(H,58,73)(H,59,69)(H,60,70)(H,61,71)(H,65,66) |
| InChI Key | HQUPTJOAWSKGJC-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C53H94N8O14 |
| Molecular Weight | 1067.40 g/mol |
| Exact Mass | 1066.68894970 g/mol |
| Topological Polar Surface Area (TPSA) | 337.00 Ų |
| XlogP | 7.00 |
| 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 | 99.82% | 98.95% |
| CHEMBL3837 | P07711 | Cathepsin L | 99.53% | 96.61% |
| CHEMBL4801 | P29466 | Caspase-1 | 98.37% | 96.85% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.01% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 97.92% | 93.56% |
| CHEMBL3468 | P55210 | Caspase-7 | 97.75% | 95.68% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 95.56% | 92.08% |
| CHEMBL3776 | Q14790 | Caspase-8 | 94.86% | 97.06% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.30% | 91.11% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 93.98% | 96.47% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 93.96% | 96.90% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.67% | 96.09% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 93.25% | 90.24% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 93.19% | 89.63% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 92.38% | 98.05% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 90.96% | 90.20% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 90.85% | 90.93% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 90.32% | 91.81% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 89.77% | 97.29% |
| CHEMBL236 | P41143 | Delta opioid receptor | 89.50% | 99.35% |
| CHEMBL2334 | P42574 | Caspase-3 | 89.36% | 98.25% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 88.98% | 89.50% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.60% | 90.71% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 88.26% | 96.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 88.05% | 100.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 87.97% | 90.08% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 86.99% | 97.23% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.63% | 97.14% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 86.04% | 98.10% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 85.80% | 95.00% |
| CHEMBL4072 | P07858 | Cathepsin B | 85.73% | 93.67% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.28% | 90.17% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 84.05% | 92.29% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 83.97% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.42% | 95.56% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 83.31% | 97.64% |
| CHEMBL4296 | Q15858 | Sodium channel protein type IX alpha subunit | 82.82% | 96.11% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.49% | 93.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.47% | 100.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.12% | 92.88% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.73% | 99.23% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 81.34% | 97.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.41% | 89.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.36% | 91.19% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 80.34% | 92.32% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.18% | 97.09% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 80.15% | 94.66% |
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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 146682670 |
| LOTUS | LTS0129973 |
| wikiData | Q105032440 |