MyxochromideA
| Internal ID | be8c6df8-710e-4378-bfdf-ee97fc13a84a |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | (3S,9S,10R,15S,21S)-9-[[(2E,4E,6E,8E,10E,12E,14E)-heptadeca-2,4,6,8,10,12,14-heptaenoyl]-methylamino]-6,10,18-trimethyl-3-(2-methylpropyl)-2,5,8,12,17,20-hexaoxo-11-oxa-1,4,7,16,19-pentazabicyclo[19.3.0]tetracosane-15-carboxamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C44H63N7O9/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-36(52)50(7)38-32(6)60-37(53)26-25-33(39(45)54)48-40(55)30(4)46-42(57)35-23-22-27-51(35)44(59)34(28-29(2)3)49-41(56)31(5)47-43(38)58/h9-21,24,29-35,38H,8,22-23,25-28H2,1-7H3,(H2,45,54)(H,46,57)(H,47,58)(H,48,55)(H,49,56)/b10-9+,12-11+,14-13+,16-15+,18-17+,20-19+,24-21+/t30?,31?,32-,33+,34+,35+,38+/m1/s1 |
| InChI Key | XBMKGMHZBZQOAE-ZOTHMMPWSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C44H63N7O9 |
| Molecular Weight | 834.00 g/mol |
| Exact Mass | 833.46872661 g/mol |
| Topological Polar Surface Area (TPSA) | 226.00 Ų |
| XlogP | 4.20 |
| 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 | 99.30% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.59% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.33% | 91.11% |
| CHEMBL204 | P00734 | Thrombin | 96.26% | 96.01% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.10% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.99% | 97.09% |
| CHEMBL3837 | P07711 | Cathepsin L | 93.22% | 96.61% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 93.17% | 96.31% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 93.14% | 90.08% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.17% | 85.14% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 91.01% | 95.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.38% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.74% | 90.71% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 89.42% | 82.38% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 88.96% | 97.47% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.96% | 89.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 87.54% | 96.38% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.90% | 96.47% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.74% | 93.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.51% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.50% | 93.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.11% | 99.23% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 85.88% | 95.62% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 85.39% | 96.76% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.91% | 86.33% |
| CHEMBL1628481 | P35414 | Apelin receptor | 84.68% | 97.89% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 84.50% | 97.64% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 83.68% | 98.59% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.34% | 89.34% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.95% | 100.00% |
| CHEMBL4660 | P28907 | Lymphocyte differentiation antigen CD38 | 82.69% | 95.27% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 82.67% | 85.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.21% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.62% | 94.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.48% | 99.17% |
| CHEMBL4506 | Q96EB6 | NAD-dependent deacetylase sirtuin 1 | 81.26% | 88.33% |
| CHEMBL1949 | P62937 | Cyclophilin A | 81.02% | 98.57% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 80.39% | 92.32% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.27% | 92.94% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.19% | 97.05% |
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 | 139585754 |
| LOTUS | LTS0092239 |
| wikiData | Q77490933 |