Ngercheumicin F
| Internal ID | f4790705-12ef-48ea-984e-c512e66526c7 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | (Z)-3-hydroxy-N-[1-[[(9S,12R,15S,16S)-9-[(1S)-1-hydroxyethyl]-12-(hydroxymethyl)-16-methyl-3,6-bis(2-methylpropyl)-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]amino]-4-methyl-1-oxopentan-2-yl]tetradec-7-enamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C43H76N6O11/c1-10-11-12-13-14-15-16-17-18-19-30(52)23-35(53)44-31(20-25(2)3)39(55)49-37-29(9)60-43(59)33(22-27(6)7)46-38(54)32(21-26(4)5)45-41(57)36(28(8)51)48-40(56)34(24-50)47-42(37)58/h15-16,25-34,36-37,50-52H,10-14,17-24H2,1-9H3,(H,44,53)(H,45,57)(H,46,54)(H,47,58)(H,48,56)(H,49,55)/b16-15-/t28-,29-,30?,31?,32?,33?,34+,36-,37-/m0/s1 |
| InChI Key | RHJAHLYWTDULNL-HJTHNFCZSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C43H76N6O11 |
| Molecular Weight | 853.10 g/mol |
| Exact Mass | 852.55720726 g/mol |
| Topological Polar Surface Area (TPSA) | 262.00 Ų |
| XlogP | 5.80 |
| 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 | 99.74% | 98.95% |
| CHEMBL3837 | P07711 | Cathepsin L | 99.68% | 96.61% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.96% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 97.62% | 93.56% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 97.25% | 92.08% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 96.06% | 89.63% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 95.82% | 96.47% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.80% | 91.11% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 94.53% | 98.05% |
| CHEMBL4072 | P07858 | Cathepsin B | 94.03% | 93.67% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 93.60% | 97.29% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 93.30% | 91.81% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 93.11% | 96.90% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 90.41% | 90.08% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 89.88% | 92.88% |
| CHEMBL4296 | Q15858 | Sodium channel protein type IX alpha subunit | 89.66% | 96.11% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 89.62% | 89.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.10% | 89.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 88.75% | 100.00% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 88.52% | 94.66% |
| CHEMBL236 | P41143 | Delta opioid receptor | 88.14% | 99.35% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.05% | 97.14% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 88.01% | 95.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.64% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.60% | 96.09% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 87.51% | 90.24% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 86.83% | 94.80% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 86.71% | 90.93% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.65% | 95.56% |
| CHEMBL1949 | P62937 | Cyclophilin A | 83.69% | 98.57% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.67% | 94.73% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.60% | 91.19% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 83.53% | 97.64% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.33% | 92.86% |
| CHEMBL4801 | P29466 | Caspase-1 | 83.02% | 96.85% |
| CHEMBL1801 | P00747 | Plasminogen | 82.96% | 92.44% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 82.72% | 96.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.55% | 90.17% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 82.32% | 90.20% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.44% | 100.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 80.71% | 98.03% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.33% | 99.23% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.21% | 92.50% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 80.14% | 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.
To see more specific details click the taxa you are interested in.
| Echinocereus triglochidiatus |
| PubChem | 139583843 |
| LOTUS | LTS0076093 |
| wikiData | Q105288008 |