Xefoampeptide E
| Internal ID | 506f98b6-b410-4be4-9acf-b1452095a3fa |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | (3S,6S,9R)-3,6,9-tris(2-methylpropyl)-13-octyl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H53N3O5/c1-8-9-10-11-12-13-14-22-18-26(33)30-23(15-19(2)3)27(34)31-24(16-20(4)5)28(35)32-25(17-21(6)7)29(36)37-22/h19-25H,8-18H2,1-7H3,(H,30,33)(H,31,34)(H,32,35)/t22?,23-,24+,25+/m1/s1 |
| InChI Key | HRCDGHGLLPDRFZ-RLXSEPNVSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C29H53N3O5 |
| Molecular Weight | 523.70 g/mol |
| Exact Mass | 523.39852180 g/mol |
| Topological Polar Surface Area (TPSA) | 114.00 Ų |
| XlogP | 7.10 |
| 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 | 98.92% | 98.95% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 98.13% | 89.63% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.83% | 97.25% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 95.97% | 97.79% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 95.71% | 90.24% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 95.30% | 98.03% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 95.12% | 90.08% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 91.80% | 92.97% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 91.42% | 97.29% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.32% | 93.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.29% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.17% | 97.09% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.78% | 96.47% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.56% | 94.45% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 87.85% | 97.64% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 86.81% | 88.56% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 86.37% | 91.81% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.34% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.15% | 91.11% |
| CHEMBL3837 | P07711 | Cathepsin L | 85.11% | 96.61% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 84.31% | 92.88% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.61% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.58% | 94.73% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 83.25% | 92.08% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.10% | 95.56% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 82.96% | 82.38% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.66% | 94.75% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.66% | 100.00% |
| CHEMBL1907589 | P17787 | Neuronal acetylcholine receptor; alpha4/beta2 | 82.65% | 94.55% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 81.80% | 95.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 81.32% | 92.86% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.23% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.18% | 99.23% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.12% | 95.50% |
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 | 146684565 |
| LOTUS | LTS0191423 |
| wikiData | Q105032568 |