MC-OiaR
| Internal ID | a44347cd-ff12-4ad3-b48d-cf74bc1d5beb |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides |
| IUPAC Name | (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-8-[(2-oxo-1,3-dihydroindol-3-yl)methyl]-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C54H73N11O13/c1-28(25-29(2)42(78-8)26-34-15-10-9-11-16-34)20-21-37-30(3)45(67)62-40(52(74)75)22-23-43(66)65(7)33(6)48(70)58-32(5)47(69)63-41(27-36-35-17-12-13-18-38(35)60-49(36)71)51(73)64-44(53(76)77)31(4)46(68)61-39(50(72)59-37)19-14-24-57-54(55)56/h9-13,15-18,20-21,25,29-32,36-37,39-42,44H,6,14,19,22-24,26-27H2,1-5,7-8H3,(H,58,70)(H,59,72)(H,60,71)(H,61,68)(H,62,67)(H,63,69)(H,64,73)(H,74,75)(H,76,77)(H4,55,56,57)/b21-20+,28-25+/t29-,30-,31-,32+,36?,37-,39-,40+,41-,42-,44+/m0/s1 |
| InChI Key | RTWKALOUNJLWMT-JFXBHVICSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C54H73N11O13 |
| Molecular Weight | 1084.20 g/mol |
| Exact Mass | 1083.53893143 g/mol |
| Topological Polar Surface Area (TPSA) | 372.00 Ų |
| XlogP | 1.60 |
| DTXSID601334038 |
| 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 | 99.76% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.74% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.68% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.37% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.28% | 95.56% |
| CHEMBL4072 | P07858 | Cathepsin B | 96.16% | 93.67% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.04% | 94.45% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 94.44% | 91.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.27% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.06% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.96% | 95.89% |
| CHEMBL3837 | P07711 | Cathepsin L | 92.07% | 96.61% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.11% | 99.17% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 89.96% | 97.64% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.62% | 90.71% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 87.60% | 90.20% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 87.50% | 93.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.27% | 97.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.98% | 95.89% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.59% | 100.00% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 83.31% | 97.33% |
| CHEMBL4644 | P41968 | Melanocortin receptor 3 | 83.22% | 99.52% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.25% | 98.75% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 81.18% | 95.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.09% | 96.47% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.03% | 90.08% |
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 | 146683828 |
| LOTUS | LTS0132344 |
| wikiData | Q104246723 |