| Internal ID | 51ddcd44-4f5e-4e85-9650-a1d22f7c4cdf |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C76H114N20O22S/c1-38(2)30-48-64(104)85-50(33-56(78)100)66(106)91-59(41(6)98)73(113)94(11)35-57(101)118-42(7)60(74(114)95(12)53(68(108)86-48)26-27-55(77)99)92-67(107)52(36-119(115,116)117)89-63(103)47(24-18-28-81-75(79)80)84-65(105)49(32-44-34-82-46-23-17-16-22-45(44)46)87-70(110)58(39(3)4)90-71(111)61(76(8,9)10)93-69(109)54-25-19-29-96(54)72(112)51(31-43-20-14-13-15-21-43)88-62(102)40(5)83-37-97/h13-17,20-23,34,37-42,47-54,58-61,82,98H,18-19,24-33,35-36H2,1-12H3,(H2,77,99)(H2,78,100)(H,83,97)(H,84,105)(H,85,104)(H,86,108)(H,87,110)(H,88,102)(H,89,103)(H,90,111)(H,91,106)(H,92,107)(H,93,109)(H4,79,80,81)(H,115,116,117) |
| InChI Key | UYSZNAJNNZZLOS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C76H114N20O22S |
| Molecular Weight | 1691.90 g/mol |
| Exact Mass | 1690.81372652 g/mol |
| Topological Polar Surface Area (TPSA) | 654.00 Ų |
| XlogP | -1.40 |
| 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 | 99.97% | 98.95% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 99.88% | 96.31% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 99.87% | 98.33% |
| CHEMBL3837 | P07711 | Cathepsin L | 99.84% | 96.61% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 99.73% | 97.64% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 99.22% | 91.81% |
| CHEMBL4801 | P29466 | Caspase-1 | 99.20% | 96.85% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 99.10% | 95.56% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 98.63% | 94.66% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 98.47% | 90.08% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 98.24% | 88.42% |
| CHEMBL4123 | P30989 | Neurotensin receptor 1 | 98.23% | 96.67% |
| CHEMBL3729 | P22748 | Carbonic anhydrase IV | 97.95% | 99.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.77% | 91.11% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 97.35% | 95.00% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 97.31% | 85.31% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.28% | 96.09% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 97.24% | 100.00% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 96.99% | 97.31% |
| CHEMBL4777 | P25929 | Neuropeptide Y receptor type 1 | 96.82% | 96.67% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 96.50% | 97.23% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 96.19% | 96.47% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 95.89% | 82.38% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 95.53% | 96.90% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 95.47% | 92.12% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 94.93% | 100.00% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 94.89% | 85.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.81% | 97.09% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 94.70% | 96.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 94.09% | 99.23% |
| CHEMBL5028 | O14672 | ADAM10 | 93.02% | 97.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 92.99% | 97.14% |
| CHEMBL4625 | Q07817 | Apoptosis regulator Bcl-X | 92.82% | 99.77% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.73% | 89.00% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 92.57% | 98.24% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 92.48% | 88.56% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 92.19% | 93.00% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 92.16% | 95.00% |
| CHEMBL4296 | Q15858 | Sodium channel protein type IX alpha subunit | 91.64% | 96.11% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 91.58% | 94.50% |
| CHEMBL4644 | P41968 | Melanocortin receptor 3 | 91.44% | 99.52% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 91.27% | 95.38% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 91.07% | 95.17% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 90.90% | 95.34% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.70% | 93.56% |
| CHEMBL4018 | P49146 | Neuropeptide Y receptor type 2 | 90.21% | 98.94% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 89.96% | 92.32% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.67% | 91.19% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 89.54% | 89.63% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 89.20% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.08% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.72% | 95.89% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.64% | 93.03% |
| CHEMBL4072 | P07858 | Cathepsin B | 88.40% | 93.67% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.11% | 99.17% |
| CHEMBL4361 | Q07820 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 87.84% | 95.52% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 87.82% | 96.03% |
| CHEMBL4073 | P09237 | Matrix metalloproteinase 7 | 87.81% | 97.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.76% | 96.00% |
| CHEMBL2803 | P43403 | Tyrosine-protein kinase ZAP-70 | 86.24% | 82.50% |
| CHEMBL1293287 | P14735 | Insulin-degrading enzyme | 86.22% | 88.10% |
| CHEMBL2730 | P21980 | Protein-glutamine gamma-glutamyltransferase | 85.82% | 92.38% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.45% | 94.75% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 85.42% | 92.98% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.17% | 98.75% |
| CHEMBL5646 | Q6L5J4 | FML2_HUMAN | 84.86% | 100.00% |
| CHEMBL2327 | P21452 | Neurokinin 2 receptor | 84.50% | 98.89% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 84.32% | 98.05% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 83.63% | 90.93% |
| CHEMBL4393 | P39900 | Matrix metalloproteinase 12 | 83.57% | 92.22% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 82.82% | 100.00% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 82.64% | 96.76% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 82.51% | 95.83% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.41% | 85.14% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.40% | 95.50% |
| CHEMBL3869 | P50281 | Matrix metalloproteinase 14 | 81.22% | 93.10% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 80.47% | 98.59% |
| CHEMBL1795185 | Q58F21 | Bromodomain testis-specific protein | 80.36% | 89.76% |
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 | 16132385 |
| LOTUS | LTS0182378 |
| wikiData | Q104403094 |