MC-OiaA
| Internal ID | 15faab2b-bce5-40d9-9fc0-71f1108e12f7 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides |
| IUPAC Name | (5R,8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,15,19-pentamethyl-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/C51H66N8O13/c1-26(23-27(2)40(72-9)24-33-15-11-10-12-16-33)19-20-36-28(3)43(61)56-38(50(68)69)21-22-41(60)59(8)32(7)47(65)53-31(6)46(64)57-39(25-35-34-17-13-14-18-37(34)55-48(35)66)49(67)58-42(51(70)71)29(4)44(62)52-30(5)45(63)54-36/h10-20,23,27-31,35-36,38-40,42H,7,21-22,24-25H2,1-6,8-9H3,(H,52,62)(H,53,65)(H,54,63)(H,55,66)(H,56,61)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b20-19+,26-23+/t27-,28-,29-,30-,31+,35?,36-,38+,39-,40-,42+/m0/s1 |
| InChI Key | HNAQQSWIMKHJPV-USSSJJRQSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C51H66N8O13 |
| Molecular Weight | 999.10 g/mol |
| Exact Mass | 998.47493419 g/mol |
| Topological Polar Surface Area (TPSA) | 308.00 Ų |
| XlogP | 2.80 |
| DTXSID501335245 |
| 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 | 99.78% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.96% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.61% | 83.82% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.68% | 85.14% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 96.06% | 91.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.60% | 95.56% |
| CHEMBL4072 | P07858 | Cathepsin B | 95.40% | 93.67% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.11% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.90% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.65% | 94.45% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 89.30% | 97.64% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.31% | 95.89% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 87.98% | 90.08% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.75% | 90.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.28% | 97.25% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.28% | 95.89% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 84.17% | 97.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.93% | 97.14% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.52% | 93.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.42% | 99.17% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.09% | 91.07% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.86% | 94.75% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 81.47% | 88.56% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 80.55% | 90.20% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.00% | 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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 146683822 |
| LOTUS | LTS0164440 |
| wikiData | Q104246606 |