(D-Asp3,Dha7)MC-E(OMe)E(OMe)
| Internal ID | e724b36f-e597-4098-a096-875b4031215c |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides |
| IUPAC Name | (5R,8S,11R,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-8,15-bis(3-methoxy-3-oxopropyl)-5,19-dimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C47H65N7O16/c1-25(22-26(2)36(68-6)23-30-12-10-9-11-13-30)14-15-31-27(3)41(59)53-34(46(64)65)16-19-37(55)48-28(4)42(60)49-29(5)43(61)52-33(18-21-40(58)70-8)45(63)54-35(47(66)67)24-38(56)50-32(44(62)51-31)17-20-39(57)69-7/h9-15,22,26-27,29,31-36H,4,16-21,23-24H2,1-3,5-8H3,(H,48,55)(H,49,60)(H,50,56)(H,51,62)(H,52,61)(H,53,59)(H,54,63)(H,64,65)(H,66,67)/b15-14+,25-22+/t26-,27-,29+,31-,32-,33-,34+,35+,36-/m0/s1 |
| InChI Key | HWVHMIUFTWETCB-NPBCHJBDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C47H65N7O16 |
| Molecular Weight | 984.10 g/mol |
| Exact Mass | 983.44877901 g/mol |
| Topological Polar Surface Area (TPSA) | 340.00 Ų |
| XlogP | 1.10 |
| DTXSID701335310 |
| 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 | 99.60% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.59% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.83% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.72% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.75% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.05% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.95% | 95.56% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 93.77% | 97.64% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.11% | 90.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.31% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.06% | 95.89% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 89.70% | 90.08% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.70% | 95.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.23% | 86.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.96% | 91.07% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.65% | 94.75% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.51% | 91.19% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.06% | 97.14% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 85.43% | 90.20% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.92% | 99.23% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.81% | 82.69% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.78% | 95.89% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.06% | 93.03% |
| CHEMBL2327 | P21452 | Neurokinin 2 receptor | 82.76% | 98.89% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.32% | 91.71% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.77% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.66% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.57% | 97.09% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.48% | 96.47% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 146683844 |
| LOTUS | LTS0130977 |
| wikiData | Q105110600 |